PDB-2xtq: Structure of the P107A Colicin M mutant from E. coli

ID or keywords:

Entry

Database: PDB / ID: 2xtq

Title

Structure of the P107A Colicin M mutant from E. coli

Components

COLICIN-M

Keywords

ANTIMICROBIAL PROTEIN / BACTERICIN

Function / homology

Function and homology information

killing of cells of another organism / defense response to bacterium
Similarity search - Function

Biological species

ESCHERICHIA COLI (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.31 Å

Authors

Helbig, S. / Patzer, S.I. / Braun, V. / Zeth, K.

Citation

Journal: J.Biol.Chem. / Year: 2011
Title: Activation of Colicin M by the Fkpa Prolyl Cis- Trans Isomerase/Chaperone.
Authors: Helbig, S. / Patzer, S.I. / Schiene-Fischer, C. / Zeth, K. / Braun, V.

History

Deposition	Oct 12, 2010	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Dec 22, 2010	Provider: repository / Type: Initial release
Revision 1.1	May 8, 2011	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Jun 20, 2018	Group: Advisory / Data collection / Derived calculations Category: pdbx_unobs_or_zero_occ_atoms / pdbx_validate_symm_contact / struct_conn
Revision 1.4	Dec 20, 2023	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_ncs_dom_lim Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	2xtq.cif.gz	804.8 KB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/xt/2xtq ftp://data.pdbj.org/pub/pdb/validation_reports/xt/2xtq	HTTPS FTP

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Related structure data

Related structure data	2xmxSC 2xtrC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	2xmx-2 2xtr-2 3da3-2 2xtr-1 6yr8-d 3da3-1 2xmx-1 4cs3-d 4we6-2 1l1m-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) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Related structure data

2xmxSC

2xtrC

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: COLICIN-M

B: COLICIN-M

C: COLICIN-M

D: COLICIN-M

E: COLICIN-M

F: COLICIN-M

G: COLICIN-M

H: COLICIN-M

236 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: COLICIN-M

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

2

B: COLICIN-M

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

3

C: COLICIN-M

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

4

D: COLICIN-M

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

5

E: COLICIN-M

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

6

F: COLICIN-M

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

7

G: COLICIN-M

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

8

H: COLICIN-M

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

Unit cell

Length a, b, c (Å)	52.852, 63.114, 189.340
Angle α, β, γ (deg.)	87.59, 82.17, 65.65
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	A
2	1	B
3	1	C
4	1	D
5	1	E
6	1	F
7	1	G
8	1	H

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: GLU / Beg label comp-ID: GLU / End auth comp-ID: SER / End label comp-ID: SER / Refine code: 3 / Auth seq-ID: 2 - 268 / Label seq-ID: 2 - 268

Dom-ID	Auth asym-ID	Label asym-ID
1	A	A
2	B	B
3	C	C
4	D	D
5	E	E
6	F	F
7	G	G
8	H	H

#1: Protein	COLICIN-M Mass: 29486.479 Da / Num. of mol.: 8 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ESCHERICHIA COLI (E. coli) / Strain: K-12 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P05820
#2: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 451 / Source method: isolated from a natural source / Formula: H₂O
Compound details	ENGINEERED RESIDUE IN CHAIN A, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN B, PRO 107 TO ALA ...ENGINEERED RESIDUE IN CHAIN A, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN B, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN C, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN D, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN E, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN F, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN G, PRO 107 TO ALA ENGINEERED RESIDUE IN CHAIN H, PRO 107 TO ALA

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.42 Å³/Da / Density % sol: 48.09 % / Description: NONE
Crystal grow	pH: 6.5 / Details: 20% PEG3350 0.2 M NANO3, pH 6.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.31→49 Å / Num. obs: 85754 / % possible obs: 89.5 % / Observed criterion σ(I): 1.7 / Redundancy: 1.7 % / R_merge(I) obs: 0.09 / Net I/σ(I): 5.4
Reflection shell	Resolution: 2.31→2.37 Å / Redundancy: 1.5 % / R_merge(I) obs: 0.4 / Mean I/σ(I) obs: 1.5 / % possible all: 72.9

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Processing

Software

Name	Version	Classification
REFMAC	5.5.0102	refinement
XDS		data reduction
XDS		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2XMX

2xmx

Resolution: 2.31→48.68 Å / Cor.coef. F_o:F_c: 0.876 / Cor.coef. F_o:F_c free: 0.843 / SU B: 21.383 / SU ML: 0.23 / Cross valid method: THROUGHOUT / ESU R: 0.553 / ESU R Free: 0.285 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.27261	4514	5 %	RANDOM
R_work	0.24023	-	-	-
obs	0.24185	85754	100 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 21.646 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.05 Å²	0.17 Å²	-0.11 Å²
2-	-	-0.5 Å²	0.01 Å²
3-	-	-	0.44 Å²

Refinement step

Cycle: LAST / Resolution: 2.31→48.68 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16536	0	0	451	16987

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.016	0.022	16950
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.43	1.95	23051
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.021	5	2163
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.586	24.267	689
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.932	15	2704
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	19.466	15	57
X-RAY DIFFRACTION	r_chiral_restr	0.099	0.2	2596
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	12799
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.784	1.5	10722
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.584	2	17316
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	2.785	3	6228
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	4.845	4.5	5729
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	A	1065	tight positional	0.07	0.05
2	B	1065	tight positional	0.06	0.05
3	C	1065	tight positional	0.06	0.05
4	D	1065	tight positional	0.06	0.05
5	E	1065	tight positional	0.07	0.05
6	F	1065	tight positional	0.07	0.05
7	G	1065	tight positional	0.06	0.05
8	H	1065	tight positional	0.06	0.05
1	A	953	loose positional	0.07	5
2	B	953	loose positional	0.06	5
3	C	953	loose positional	0.06	5
4	D	953	loose positional	0.07	5
5	E	953	loose positional	0.07	5
6	F	953	loose positional	0.07	5
7	G	953	loose positional	0.07	5
8	H	953	loose positional	0.07	5
1	A	1065	tight thermal	0.15	0.5
2	B	1065	tight thermal	0.16	0.5
3	C	1065	tight thermal	0.14	0.5
4	D	1065	tight thermal	0.15	0.5
5	E	1065	tight thermal	0.15	0.5
6	F	1065	tight thermal	0.15	0.5
7	G	1065	tight thermal	0.15	0.5
8	H	1065	tight thermal	0.15	0.5
1	A	953	loose thermal	0.16	10
2	B	953	loose thermal	0.16	10
3	C	953	loose thermal	0.15	10
4	D	953	loose thermal	0.15	10
5	E	953	loose thermal	0.15	10
6	F	953	loose thermal	0.16	10
7	G	953	loose thermal	0.15	10
8	H	953	loose thermal	0.14	10

LS refinement shell

Resolution: 2.31→2.37 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.339	320	-
R_work	0.318	6081	-
obs	-	-	100 %

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	0.8275	0.2235	0.0981	0.3213	-0.3021	0.8029	-0.0034	-0.0423	0.0561	-0.0112	0.0043	-0.0743	0.0069	-0.0132	-0.0009	0.0517	0.0071	0.0182	0.0788	0.004	0.0787	12.432	-3.072	-7.645
2	0.3974	-0.2057	-0.3896	0.7513	0.5538	1.8466	0.0031	0.036	0.0923	0.0091	-0.0243	-0.0152	0.0128	-0.0913	0.0213	0.0672	-0.0197	0.0084	0.088	0.0135	0.0323	-3.478	-2.402	-2.353
3	0.3839	0.1875	-0.5879	0.8971	-0.7198	1.4174	0.1177	0.0084	0.0854	0.125	-0.0037	-0.03	-0.21	-0.0494	-0.1141	0.0807	-0.0235	0.0043	0.0749	-0.0036	0.04	-8.882	5.565	10.17
4	0.454	0.265	-2.2699	1.3161	-0.6933	12.0388	-0.0003	-0.0148	0.0041	0.1426	-0.0534	-0.0403	0.0257	0.125	0.0537	0.0382	0.019	-0.0345	0.0993	-0.0031	0.0806	-10.115	-0.386	10.878
5	3.4013	0.3572	-0.4295	1.1928	-0.9845	2.6378	0.0723	0.3159	-0.1854	-0.3392	-0.022	0.254	0.0798	0.0644	-0.0503	0.1411	0.0278	-0.0934	0.0811	-0.0287	0.0939	-27.997	-15.902	-19.228
6	0.6772	-0.1766	0.1635	0.488	-0.1026	0.152	0.031	0.0114	-0.1028	-0.0871	-0.0356	0.1204	0.0142	0.045	0.0046	0.0838	0.0068	-0.0042	0.1213	0.0048	0.0575	-23.165	-17.634	-11.636
7	0.1061	-0.3701	0.5274	1.3238	-1.8883	2.7064	0.067	-0.0205	-0.0206	-0.2201	0.0486	0.0821	0.2989	-0.0894	-0.1156	0.1071	0.0443	0.021	0.1417	0.0085	0.0314	-6.616	-36.509	1.861
8	0.6935	-1.0122	0.7219	1.5082	-1.1504	1.0824	0.0073	0.0221	-0.0516	0.0073	-0.0155	0.0524	-0.0852	-0.0061	0.0082	0.0693	-0.0084	0.0114	0.0758	0.0037	0.0425	-6.517	-35.027	-2.596
9	0.6755	-0.9745	-0.2836	1.4624	0.3878	0.2294	-0.0237	-0.0026	0.0725	0.1047	0.03	-0.1397	-0.044	-0.1131	-0.0062	0.1226	0.0196	-0.0466	0.178	0.0048	0.0748	12.481	-4.325	-35.986
10	0.3142	-0.0464	0.1997	0.1117	-0.0872	0.5521	-0.0091	0.0095	-0.0771	-0.0312	0.0179	-0.051	0.0229	-0.0601	-0.0089	0.078	-0.0101	0.0056	0.101	0.0113	0.0671	5.672	-2.25	-46.549
11	0.493	-0.2296	0.546	0.748	-0.8041	1.6273	0.0504	0.0531	-0.1291	-0.0985	0.0461	-0.0529	0.1528	-0.1117	-0.0966	0.0934	-0.0229	0.0007	0.0966	-0.0149	0.0586	-8.711	-11.13	-61.107
12	0.6698	-0.038	2.2547	0.6099	0.596	8.5506	0.0317	0.0346	0.0283	-0.0971	0.0045	-0.12	0.0395	0.1713	-0.0361	0.0814	-0.0377	0.036	0.1085	-0.0042	0.0307	-9.917	-5.102	-61.59
13	2.2631	0.3575	0.2988	1.1799	-0.2587	0.2009	0.1974	-0.2637	0.366	0.0847	-0.1809	0.2098	0.1123	0.0372	-0.0165	0.1873	-0.0239	0.0201	0.1367	-0.0748	0.0889	24.7	10.337	-31.573
14	0.5272	0.1782	-0.0174	0.4751	-0.0051	0.2103	0.0246	-0.0107	0.0645	0.0374	-0.0522	0.1008	0.0267	0.0244	0.0277	0.0799	-0.0123	0.0045	0.1133	0.0018	0.033	29.554	12.156	-39.078
15	0.376	0.4075	-0.8873	0.445	-0.9662	2.1008	0.0011	0.0237	0.0171	0.0108	0.0441	0.0179	-0.0114	-0.0845	-0.0451	0.086	0.0029	-0.0393	0.157	0.0138	0.0736	45.973	30.822	-52.697
16	0.3398	0.6168	-0.316	1.1337	-0.6209	0.5428	-0.0098	-0.0096	0.0411	-0.0138	-0.02	0.0503	0.0574	-0.0354	0.0297	0.0726	-0.0024	-0.0028	0.0935	0.0208	0.0627	46.062	29.536	-48.069
17	1.0645	-0.937	-0.491	0.8407	0.4063	0.5796	-0.0165	-0.0857	-0.0807	0.022	0.0995	0.0869	0.094	-0.0533	-0.0831	0.0572	-0.0454	-0.0036	0.1134	0.0244	0.0806	-46.066	-31.324	58.02
18	0.4114	-0.0557	0.2165	0.22	-0.1165	0.3302	-0.0319	0.0427	0.0175	0.0481	0.0653	-0.0055	-0.0069	-0.0004	-0.0333	0.0552	0.0051	0.0198	0.0938	-0.0084	0.0593	-46.512	-33.912	48.134
19	0.2306	0.0157	-0.0752	0.352	-0.02	0.8672	0.005	-0.0093	0.1545	-0.0602	0.0406	0.0374	-0.0274	0.07	-0.0457	0.0583	0.0017	0.0057	0.0755	0.0031	0.107	-27.404	-27.929	37.912
20	0.5268	0.1456	-2.4672	0.0634	-0.6737	12.3278	-0.01	0.0496	0.0085	-0.0133	-0.0346	0.02	-0.3158	-0.3321	0.0446	0.1624	0.0413	-0.0955	0.0991	0.0001	0.1433	-23.949	-30.61	32.133
21	1.1297	-0.0102	0.8706	2.1315	1.4497	2.2048	0.2667	-0.1309	-0.095	0.1456	-0.0861	-0.3725	0.0587	-0.061	-0.1806	0.2008	-0.0821	-0.0936	0.0792	0.0527	0.1446	-5.631	-46.052	62.349
22	0.8554	0.134	0.1971	0.6412	0.035	0.5992	0.0265	-0.0214	-0.0316	0.0499	-0.0462	-0.0659	0.0079	0.0045	0.0197	0.0807	0.0101	0.0069	0.0929	0.0046	0.0106	-10.63	-47.9	54.814
23	0.0779	0.4254	0.235	2.3388	1.297	0.7239	-0.0047	0.0117	-0.0268	-0.0134	0.0871	-0.1451	0.0021	0.0633	-0.0823	0.0769	0.0046	0.0214	0.0947	0.0074	0.0481	-26.967	-66.771	41.243
24	1.0729	1.0118	0.728	1.2709	1.0562	0.9399	-0.0113	-0.0133	-0.1622	-0.0673	0.037	-0.075	-0.1073	0.0487	-0.0257	0.1033	0.009	-0.0041	0.0418	0.0081	0.049	-27.084	-65.362	45.759
25	1.3303	-0.117	-1.5489	0.2237	0.0347	1.8984	0.19	0.132	0.2201	-0.1391	-0.031	-0.2137	-0.1007	-0.0907	-0.159	0.1871	0.0981	0.1109	0.1152	0.0541	0.2598	-31.956	-77.446	74.474
26	1.1495	-0.2791	-0.1707	0.2861	0.116	0.3484	0.0695	0.0261	0.0452	-0.02	-0.0623	-0.0849	0.0006	-0.0306	-0.0073	0.0805	0.0112	0.0107	0.0889	-0.005	0.0466	-37.007	-75.413	82.046
27	0.0064	0.0072	0.0168	0.2961	0.7039	1.7021	-0.0206	0.0009	0.0011	0.0005	0.0369	-0.0001	0.0052	0.1395	-0.0163	0.063	0.0056	-0.0006	0.093	-0.013	0.1162	-53.557	-56.354	95.45
28	0.8185	-0.9243	-0.5982	1.2316	1.0107	1.0422	-0.0009	0.0437	0.1292	0.0842	-0.0159	-0.085	0.1587	0.01	0.0167	0.0746	-0.0001	0.0103	0.0563	0.0039	0.057	-53.594	-58.042	90.942
29	0.7751	0.7966	-0.2779	0.8724	-0.5568	2.0394	0.0692	0.0513	0.001	0.0776	0.0562	0.0459	-0.2335	-0.0619	-0.1254	0.0736	0.0515	-0.0396	0.1239	-0.0105	0.1073	-72.368	-91.864	78.852
30	0.6434	0.0227	0.0242	0.0691	-0.0665	0.1121	0.0292	-0.0224	-0.063	0.0148	0.0011	0.0422	0.0066	0.0412	-0.0302	0.0964	0.005	0.0096	0.1167	-0.0112	0.0537	-66.288	-89.668	89.177
31	0.3652	-0.1363	-0.2229	0.3835	0.1555	0.4934	0.0363	-0.1085	-0.1513	0.1025	-0.0001	0.035	0.0794	0.0685	-0.0362	0.1398	-0.0081	-0.0108	0.1047	0.0383	0.1311	-51.197	-98.785	104.421
32	0.9713	0.4976	0.3357	0.3422	-0.7162	9.9749	0.0537	-0.0895	-0.141	0.0446	-0.0626	-0.0815	0.0596	0.2646	0.0089	0.0937	0.0672	-0.0076	0.0904	0.038	0.0612	-50.128	-92.729	104.634

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	2 - 105
2	X-RAY DIFFRACTION	2	A	106 - 164
3	X-RAY DIFFRACTION	3	A	165 - 253
4	X-RAY DIFFRACTION	4	A	254 - 271
5	X-RAY DIFFRACTION	5	B	2 - 30
6	X-RAY DIFFRACTION	6	B	31 - 145
7	X-RAY DIFFRACTION	7	B	146 - 164
8	X-RAY DIFFRACTION	8	B	165 - 271
9	X-RAY DIFFRACTION	9	C	2 - 29
10	X-RAY DIFFRACTION	10	C	30 - 163
11	X-RAY DIFFRACTION	11	C	164 - 253
12	X-RAY DIFFRACTION	12	C	254 - 271
13	X-RAY DIFFRACTION	13	D	2 - 30
14	X-RAY DIFFRACTION	14	D	31 - 145
15	X-RAY DIFFRACTION	15	D	146 - 164
16	X-RAY DIFFRACTION	16	D	165 - 271
17	X-RAY DIFFRACTION	17	E	2 - 29
18	X-RAY DIFFRACTION	18	E	30 - 105
19	X-RAY DIFFRACTION	19	E	106 - 253
20	X-RAY DIFFRACTION	20	E	254 - 271
21	X-RAY DIFFRACTION	21	F	2 - 30
22	X-RAY DIFFRACTION	22	F	31 - 145
23	X-RAY DIFFRACTION	23	F	146 - 164
24	X-RAY DIFFRACTION	24	F	165 - 271
25	X-RAY DIFFRACTION	25	G	2 - 30
26	X-RAY DIFFRACTION	26	G	31 - 145
27	X-RAY DIFFRACTION	27	G	146 - 164
28	X-RAY DIFFRACTION	28	G	165 - 271
29	X-RAY DIFFRACTION	29	H	2 - 29
30	X-RAY DIFFRACTION	30	H	30 - 161
31	X-RAY DIFFRACTION	31	H	162 - 253
32	X-RAY DIFFRACTION	32	H	254 - 271

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