PDB-5zdc: Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from ...

ID or keywords:

Entry

Database: PDB / ID: 5zdc

Title

Crystal structure of poly(ADP-ribose) glycohydrolase (PARG) from Deinococcus radiodurans in complex with ADP-ribose (P32)

Components

poly ADP-ribose glycohydrolase

Keywords

HYDROLASE /

ADP-ribose /

poly(ADP-ribose) glycohydrolase

Function / homology

Function and homology information

Conserved hypothetical protein CHP02452 / Microbial-type PARG, catalytic domain / Microbial-type PARG, catalytic domain /

Leucine Aminopeptidase, subunit E, domain 1 /

Leucine Aminopeptidase, subunit E; domain 1 /

Macro domain-like / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology

Biological species

Deinococcus radiodurans R1 (radioresistant)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.979 Å

Authors

Cho, C.C. / Hsu, C.H.

Funding support

Taiwan, 1items

Citation

Journal: Nat Commun / Year: 2019
Title: Structural and biochemical evidence supporting poly ADP-ribosylation in the bacterium Deinococcus radiodurans.
Authors: Cho, C.C. / Chien, C.Y. / Chiu, Y.C. / Lin, M.H. / Hsu, C.H.

History

Deposition	Feb 23, 2018	Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0	Feb 27, 2019	Provider: repository / Type: Initial release
Revision 1.1	Mar 11, 2020	Group: Database references / Structure summary / Category: chem_comp / citation / citation_author Item: _chem_comp.pdbx_synonyms / _citation.country ..._chem_comp.pdbx_synonyms / _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Mar 27, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zd/5zdc ftp://data.pdbj.org/pub/pdb/validation_reports/zd/5zdc	HTTPS FTP

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Related structure data

Related structure data	5zdaC 5zdbC 5zddC 5zdeC 5zdfC 5zdgC C: citing same article (ref.)
Similar structure data	5g01-d 1hcb-d 6vqs-1 5zde-d 5zdg-d 6w0u-1 3g3m-d 5gmn-d 1h7q-d 6ca2-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

Related structure data

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#213 - Sep 2017 Sirtuins similarity (1)

Deposited unit

C: poly ADP-ribose glycohydrolase

F: poly ADP-ribose glycohydrolase

H: poly ADP-ribose glycohydrolase

J: poly ADP-ribose glycohydrolase

L: poly ADP-ribose glycohydrolase

D: poly ADP-ribose glycohydrolase

hetero molecules

169 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

C: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
Evidence: gel filtration
28.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

F: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
28.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

H: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
28.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

J: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
28.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

L: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
28.2 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

D: poly ADP-ribose glycohydrolase

hetero molecules

defined by author
28.3 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	108.498, 108.498, 130.951
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	145
Space group name H-M	P3₂

#1: Protein	poly ADP-ribose glycohydrolase Mass: 27600.174 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Deinococcus radiodurans R1 (radioresistant) Strain: ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / NCIMB 9279 / R1 / VKM B-1422 Gene: DR_B0099 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9RZM4
#2: Chemical	ChemComp-AR6 / [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE / Adenosine-5-Diphosphoribose Mass: 559.316 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₅H₂₃N₅O₁₄P₂
#3: Chemical	ChemComp-PO4 / PHOSPHATE ION / Phosphate Mass: 94.971 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: PO₄
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 993 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.69 Å³/Da / Density % sol: 54.23 %
Crystal grow	Temperature: 283 K / Method: vapor diffusion, sitting drop Details: 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 20 % 2-Propanol, 20% Polyethylene glycol 4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: NSRRC / Beamline: BL15A1 / Wavelength: 1 Å
Detector	Type: RAYONIX MX300HE / Detector: CCD / Date: Mar 24, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.979→28.029 Å / Num. obs: 119193 / % possible obs: 99.1 % / Redundancy: 2.9 % / R_merge(I) obs: 0.046 / Net I/σ(I): 23.112
Reflection shell	Resolution: 1.98→2.05 Å / Redundancy: 2.8 % / R_merge(I) obs: 0.512 / Mean I/σ(I) obs: 2.408 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	(1.13_2998)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.979→28.029 Å / Cross valid method: THROUGHOUT / σ(F): 25.16 / Phase error: 19.67 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection
R_free	0.1905	2045	1.82 %
R_work	0.1445	-	-
obs	0.147	112222	93.37 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 1.979→28.029 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11576	0	231	993	12800

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.008	12086
X-RAY DIFFRACTION	f_angle_d	1.039	16474
X-RAY DIFFRACTION	f_dihedral_angle_d	7.838	7180
X-RAY DIFFRACTION	f_chiral_restr	0.055	1806
X-RAY DIFFRACTION	f_plane_restr	0.006	2186

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.9808-2.0269	0.2682	77	0.2088	4359	X-RAY DIFFRACTION	55
2.0269-2.0776	0.2465	102	0.1991	5361	X-RAY DIFFRACTION	67
2.0776-2.1337	0.1936	140	0.1874	7124	X-RAY DIFFRACTION	89
2.1337-2.1965	0.246	138	0.1763	7790	X-RAY DIFFRACTION	98
2.1965-2.2673	0.2529	146	0.171	7912	X-RAY DIFFRACTION	98
2.2673-2.3483	0.2262	140	0.1602	7759	X-RAY DIFFRACTION	98
2.3483-2.4423	0.2208	144	0.1626	7870	X-RAY DIFFRACTION	98
2.4423-2.5534	0.2141	148	0.1548	7805	X-RAY DIFFRACTION	98
2.5534-2.6879	0.1831	150	0.1544	7851	X-RAY DIFFRACTION	98
2.6879-2.8561	0.2306	136	0.1476	7834	X-RAY DIFFRACTION	98
2.8561-3.0763	0.1875	146	0.1427	7754	X-RAY DIFFRACTION	97
3.0763-3.3854	0.1841	143	0.1315	7786	X-RAY DIFFRACTION	97
3.3854-3.874	0.164	145	0.1229	7754	X-RAY DIFFRACTION	97
3.874-4.8761	0.1544	144	0.1124	7664	X-RAY DIFFRACTION	96
4.8761-26.8622	0.1827	131	0.1646	7387	X-RAY DIFFRACTION	93

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	2.0334	1.1822	-0.3592	5.1648	0.957	2.8918	-0.0852	-0.0953	-0.0339	-0.0562	-0.0871	0.1831	0.2198	-0.2454	0.1303	0.1597	0.0261	-0.0018	0.2004	0.0207	0.17	-23.1642	70.3328	-24.6517
2	8.6545	-5.7719	1.9665	8.2444	-0.936	4.1367	-0.034	-0.9	0.2135	0.2062	0.0884	-0.6789	-0.5617	0.3844	-0.0347	0.1841	-0.0377	-0.0465	0.423	0.0168	0.233	-5.8787	82.0246	-14.5063
3	1.8804	-0.1349	-0.0307	2.0125	-0.4014	2.1577	-0.0379	-0.0725	-0.1924	-0.1144	-0.0605	-0.4287	0.5029	0.7402	0.1101	0.2612	0.112	0.0866	0.315	0.0131	0.2992	-0.9164	66.4289	-29.8465
4	3.8284	-0.7552	-0.8612	3.0247	1.3605	1.2038	-0.0317	0.4935	0.023	-0.6533	-0.0422	0.0259	-0.1361	-0.0081	0.0491	0.2258	0.0376	-0.0085	0.2098	-0.0042	0.1396	-15.1433	75.7134	-36.8759
5	1.2101	0.9182	-0.2846	1.6288	-0.3921	1.4965	-0.0673	0.0364	0.0678	-0.1827	0.0638	0.0723	-0.0585	0.0071	-0.0016	0.1653	0.0336	-0.0028	0.1331	-0.0054	0.1326	-17.0053	78.2065	-31.8621
6	1.3053	1.2469	-0.9404	5.059	-3.2867	3.7702	-0.0267	-0.0683	-0.037	0.1704	-0.0778	-0.3428	-0.4301	0.373	0.1044	0.1675	-0.0166	-0.0127	0.197	0.0004	0.1685	-5.4869	88.1912	-26.8595
7	1.9144	-0.2689	0.0147	2.3777	-0.8462	1.9674	-0.065	0.0391	-0.088	-0.2094	-0.1149	-0.4809	-0.0565	0.4995	0.1487	0.1589	0.0088	0.0364	0.2696	0.0071	0.2202	-0.5028	77.6252	-32.6704
8	5.9095	-0.129	2.242	2.4097	1.0063	4.5143	0.3413	-0.4518	-0.0771	-0.045	-0.1524	-0.7941	0.0936	1.0983	0.0965	0.2597	-0.0096	0.0774	0.5766	0.0451	0.455	8.0767	76.0748	-36.9157
9	1.8636	0.4218	0.0717	2.3492	-0.2286	1.725	-0.068	0.078	-0.0678	-0.2563	-0.0022	-0.2418	-0.0255	0.0124	0.042	0.1711	0.0486	0.0362	0.1519	-0	0.171	-64.0823	43.3562	-28.0812
10	0.7824	0.4289	-0.0543	2.0366	-0.5999	1.2862	-0.0005	0.0839	-0.0175	-0.2874	-0.0811	-0.2709	-0.1051	0.0824	0.0497	0.1943	0.056	0.0442	0.1693	-0.0023	0.1713	-60.9817	49.6301	-31.5535
11	3.5801	-1.2044	0.3706	1.7269	0.447	1.2494	-0.1656	0.0303	-0.3649	0.0257	0.133	0.209	-0.1371	-0.1004	0.1884	0.3677	0.0113	-0.0017	0.107	0.0076	0.1553	-58.5307	70.3637	-53.4142
12	2.2613	-2.4945	1.0158	7.6453	-3.9652	3.7789	-0.2297	0.1991	0.1731	-0.5665	0.2863	-0.259	-0.1831	0.3514	0.0221	0.4	-0.1733	-0.0509	0.3094	0.0089	0.2059	-39.4222	78.5624	-63.7401
13	0.7612	-0.1157	0.3917	0.4101	0.4299	0.8395	-0.2508	0.093	0.6573	-0.0492	-0.1035	0.0974	-0.7122	0.1059	0.0774	0.8535	-0.0011	-0.0969	0.0837	-0.0821	0.312	-44.6111	93.0799	-50.7333
14	2.0255	-0.6201	-0.3122	2.4028	0.9858	1.2158	-0.1267	-0.3625	0.0572	0.0812	0.0781	0.1223	-0.3975	-0.1814	0.0816	0.483	0.0565	-0.0049	0.1229	-0.0729	0.1769	-51.6412	80.7141	-45.5644
15	3.2779	-1.0398	-0.3556	1.3147	-0.1521	1.3863	-0.1912	-0.2375	-0.0454	0.2562	0.1662	-0.0147	-0.0974	-0.0522	0.0031	0.3605	0.0272	0.0057	0.0891	0.0115	0.1549	-51.3621	71.8446	-45.3545
16	3.7271	-1.6243	2.386	0.783	-1.1458	1.8146	-0.075	0.1429	0.0949	0.0464	-0.0263	-0.1315	-0.2187	0.2743	0.1189	0.3415	-0.0785	-0.045	0.1532	-0.0068	0.1626	-36.6394	74.6929	-48.1598
17	1.9321	-0.4321	0.2643	0.9613	-0.625	0.9353	-0.406	-0.3216	0.4008	0.136	0.0391	-0.2314	-0.5752	0.3176	0.1705	0.6393	-0.1208	-0.1216	0.1346	-0.0397	0.2555	-40.1894	85.845	-45.7698
18	6.6982	1.8222	-2.6678	1.5338	-0.4769	5.6033	-0.2482	0.5935	0.9488	-0.1111	0.3641	-0.1341	-0.8237	0.1676	-0.1453	0.8674	-0.1638	-0.1772	0.3324	-0.0592	0.4187	-37.0733	94.047	-41.6586
19	3.7946	2.3431	0.1877	4.2798	-0.208	2.248	-0.0652	-0.3222	0.42	-0.0743	-0.0358	0.3176	-0.2058	0.2365	0.1492	0.1443	0.0611	-0.0161	0.2101	-0.0271	0.1421	-18.9906	77.2734	-9.735
20	2.4592	-2.6636	-2.2008	4.1555	0.8858	4.2366	0.035	0.0691	-0.2804	-0.8253	-0.1047	-0.0117	0.7985	-0.1714	0.1685	0.4104	0.0101	0.0606	0.1595	0.0039	0.1909	-20.9119	56.7045	-19.8998
21	0.8191	0.11	-0.3073	1.2365	-0.6372	1.7767	-0.0664	-0.3179	-0.3242	-0.0784	-0.182	-0.2982	0.2271	0.5324	0.2178	0.1951	0.1062	-0.011	0.4392	0.1018	0.2915	-7.6609	60.9631	-4.6398
22	2.0069	1.1514	1.5001	0.687	0.8557	1.241	0.5573	-1.0042	0.3077	0.6001	-0.1065	0.0544	-0.2053	-0.5896	0.0137	0.3552	0.0208	0.0711	0.424	-0.0578	0.2852	-27.9438	70.2328	3.6153
23	2.1705	1.3735	-0.0844	2.3738	-0.0794	1.4816	0.0771	-0.5538	0.072	0.1667	-0.1205	0.0978	-0.0628	0.074	-0.0173	0.1406	0.0492	0.0058	0.31	-0.0177	0.1473	-21.2925	70.2423	-1.6352
24	1.9777	2.222	-1.9171	2.5562	-2.0449	2.2169	-0.0433	-0.0817	-0.1724	-0.0357	-0.0058	-0.1336	0.3753	-0.052	0.0406	0.2174	0.0506	-0.0101	0.2471	0.0534	0.1486	-25.465	55.9825	-4.4217
25	0.6782	0.2777	0.1543	1.4771	0.0697	1.567	-0.0213	-0.449	-0.454	0.1215	-0.198	-0.3916	0.6265	0.3514	0.137	0.3657	0.1242	0.0114	0.4374	0.1818	0.3425	-12.7192	52.2533	-0.9745
26	4.1309	2.1597	0.9045	2.1622	-0.1654	2.2511	-0.0304	-0.0373	0.377	-0.1316	0.0449	0.1815	-0.3166	-0.0761	0.1506	0.1292	0.0614	0.0223	0.1871	-0.012	0.1764	-72.8525	47.3707	-9.6511
27	6.3943	-2.0644	-2.5336	5.1583	0.3388	5.1144	0.2222	0.3966	-0.5395	-0.2614	-0.2155	0.0705	0.582	-0.422	0.0286	0.1898	-0.0548	-0.0039	0.1845	0.0212	0.1989	-73.8326	26.3196	-19.6732
28	1.0737	0.1708	0.123	0.2574	0.7556	3.9236	-0.029	-0.0507	-0.3063	0.0674	0.1622	-0.2268	0.5328	0.6625	-0.0568	0.214	0.0609	-0.002	0.2662	0.0422	0.4305	-58.4802	24.9158	-6.2672
29	1.3028	-0.9738	-0.3019	1.4976	0.3514	5.1417	0.1231	-0.2185	-0.0716	0.1886	0.0532	-0.1702	0.0242	0.5533	0.0143	0.1581	0.0474	-0.0446	0.1995	-0.0002	0.2598	-57.4538	36.9354	-1.6696
30	3.3095	1.3384	1.057	2.0197	-0.1851	1.3688	0.1258	-0.3858	0.2075	0.322	-0.112	0.1815	-0.0364	-0.2075	0.0282	0.1764	0.0388	-0.0018	0.2114	-0.0123	0.1422	-73.6237	36.725	-1.2796
31	2.2603	1.1598	0.4027	2.9631	0.1308	1.0715	0.0445	-0.1366	0.0825	0.091	-0.0375	0.2374	0.041	-0.2809	-0.0193	0.1103	0.03	0.0299	0.2506	-0.0203	0.1785	-78.3352	38.838	-3.3549
32	1.0852	0.9873	0.2216	1.458	-0.1343	1.1413	0.0399	0.0012	0.0502	0.1046	0.0287	0.1044	0.1037	-0.1328	-0.0652	0.0889	0.0269	-0.005	0.1589	-0.0036	0.1675	-74.6969	30.4697	-2.1337
33	1.8778	0.0475	-0.2378	2.3741	-0.5147	3.0145	-0.0564	-0.2482	-0.4418	0.2732	-0.1626	-0.2378	0.4201	0.1582	0.1647	0.1869	0.0018	-0.0257	0.1852	0.0476	0.292	-66.0038	22.8639	-0.4373
34	1.731	0.024	-0.4421	0.7649	-0.2759	0.7933	0.0687	-0.1146	0.0217	-0.0598	-0.0163	-0.0574	-0.2116	0.0817	0.0392	0.3051	-0.0355	-0.0162	0.1599	-0.0004	0.1758	-50.4717	69.7034	-68.3437
35	1.3613	0.9434	-0.1576	6.8372	0.7216	0.1342	-0.0376	-0.1809	0.1316	0.3419	0.2154	0.0552	0.0033	-0.2442	-0.1327	0.4738	0.0626	-0.037	0.2783	0.0439	0.2017	-68.7885	79.7028	-58.2511
36	0.976	-0.3213	-0.7599	1.7848	0.1931	1.0874	0.0042	0.0791	0.4792	-0.0152	0.0011	-0.0043	-0.6055	-0.0964	-0.1572	0.4318	-0.0364	-0.0453	0.2128	0.0427	0.2765	-57.5949	91.129	-73.9501
37	3.3759	1.0038	-0.2628	2.1787	-0.4565	1.2439	-0.0207	0.4153	0.1029	-0.109	-0.1495	-0.0635	0.1622	-0.0251	0.114	0.3124	-0.0338	0.011	0.1822	0.0269	0.1588	-59.9223	74.3098	-76.6328
38	7.8943	-2.2763	1.1683	3.9682	0.1882	0.2584	0.0224	0.9185	-0.1108	-0.613	-0.2016	0.0985	0.1643	0.1962	0.2619	0.4012	-0.1377	-0.0164	0.2666	-0.0109	0.211	-57.2067	75.0078	-84.4415
39	1.5545	0.2055	0.2642	0.3457	0.0914	0.4508	-0.0721	0.1444	-0.0834	-0.0306	0.0678	0.0129	-0.0146	-0.007	0.0136	0.2986	-0.0564	-0.0019	0.1667	0.0021	0.1557	-60.1609	71.4537	-75.5662
40	1.4225	0.2966	0.754	0.2941	0.4606	0.6479	-0.0574	-0.082	0.1577	-0.1764	0.0166	0.0174	-0.2459	-0.2859	0.0116	0.3822	0.0116	-0.0106	0.144	0.0292	0.1836	-70.5113	79.2846	-69.7915
41	1.9461	-0.3821	-1.2596	3.4417	0.5549	1.0012	-0.1064	0.2592	0.1614	-0.3272	0.049	0.3866	-0.0847	-0.189	0.1773	0.3545	-0.0311	-0.0703	0.2892	0.052	0.1539	-71.2023	78.2141	-82.969
42	2.2072	0.3939	0.6809	0.8107	1.2921	5.4741	-0.1425	0.2237	0.1608	-0.0367	0.1161	0.3837	-0.5426	-0.4001	0.104	0.3684	0.0773	-0.0389	0.2609	0.031	0.3204	-74.1264	88.3972	-74.538
43	1.4203	-0.513	-0.4522	1.8631	-0.0225	1.7384	-0.0431	0.3351	0.3652	-0.256	-0.0122	0.0428	-0.2637	-0.3115	-0.0505	0.3661	0.0045	-0.0604	0.2662	0.0796	0.2848	-65.1727	89.3739	-78.4034
44	1.0375	-0.4535	-0.4152	2.4563	1.4922	0.9877	-0.2211	0.0343	0.624	0.1279	0.1775	0.1948	-0.7026	-0.1046	0.0685	0.582	0.062	-0.0768	0.4333	0.0776	0.416	-70.0614	94.537	-80.985

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'C' and (resid 29 through 45 )
2	X-RAY DIFFRACTION	2	chain 'C' and (resid 46 through 59 )
3	X-RAY DIFFRACTION	3	chain 'C' and (resid 60 through 84 )
4	X-RAY DIFFRACTION	4	chain 'C' and (resid 85 through 117 )
5	X-RAY DIFFRACTION	5	chain 'C' and (resid 118 through 188 )
6	X-RAY DIFFRACTION	6	chain 'C' and (resid 189 through 212 )
7	X-RAY DIFFRACTION	7	chain 'C' and (resid 213 through 265 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 266 through 281 )
9	X-RAY DIFFRACTION	9	chain 'F' and (resid 29 through 116 )
10	X-RAY DIFFRACTION	10	chain 'F' and (resid 117 through 280 )
11	X-RAY DIFFRACTION	11	chain 'H' and (resid 29 through 45 )
12	X-RAY DIFFRACTION	12	chain 'H' and (resid 46 through 59 )
13	X-RAY DIFFRACTION	13	chain 'H' and (resid 60 through 73 )
14	X-RAY DIFFRACTION	14	chain 'H' and (resid 74 through 103 )
15	X-RAY DIFFRACTION	15	chain 'H' and (resid 107 through 168 )
16	X-RAY DIFFRACTION	16	chain 'H' and (resid 169 through 212 )
17	X-RAY DIFFRACTION	17	chain 'H' and (resid 213 through 265 )
18	X-RAY DIFFRACTION	18	chain 'H' and (resid 266 through 281 )
19	X-RAY DIFFRACTION	19	chain 'J' and (resid 29 through 45 )
20	X-RAY DIFFRACTION	20	chain 'J' and (resid 46 through 59 )
21	X-RAY DIFFRACTION	21	chain 'J' and (resid 60 through 96 )
22	X-RAY DIFFRACTION	22	chain 'J' and (resid 97 through 103 )
23	X-RAY DIFFRACTION	23	chain 'J' and (resid 107 through 168 )
24	X-RAY DIFFRACTION	24	chain 'J' and (resid 169 through 212 )
25	X-RAY DIFFRACTION	25	chain 'J' and (resid 213 through 281 )
26	X-RAY DIFFRACTION	26	chain 'L' and (resid 29 through 45 )
27	X-RAY DIFFRACTION	27	chain 'L' and (resid 46 through 59 )
28	X-RAY DIFFRACTION	28	chain 'L' and (resid 60 through 73 )
29	X-RAY DIFFRACTION	29	chain 'L' and (resid 74 through 84 )
30	X-RAY DIFFRACTION	30	chain 'L' and (resid 85 through 103 )
31	X-RAY DIFFRACTION	31	chain 'L' and (resid 108 through 156 )
32	X-RAY DIFFRACTION	32	chain 'L' and (resid 157 through 212 )
33	X-RAY DIFFRACTION	33	chain 'L' and (resid 213 through 280 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 29 through 45 )
35	X-RAY DIFFRACTION	35	chain 'D' and (resid 46 through 59 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 60 through 84 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 85 through 103 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 108 through 116 )
39	X-RAY DIFFRACTION	39	chain 'D' and (resid 117 through 188 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 189 through 220 )
41	X-RAY DIFFRACTION	41	chain 'D' and (resid 221 through 231 )
42	X-RAY DIFFRACTION	42	chain 'D' and (resid 232 through 244 )
43	X-RAY DIFFRACTION	43	chain 'D' and (resid 245 through 265 )
44	X-RAY DIFFRACTION	44	chain 'D' and (resid 266 through 281 )

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