Resolution: 2.45→66.642 Å / SU ML: 0.38 / σ(F): 1.34 / Phase error: 30.67 / Stereochemistry target values: ML Details: RESIDUES 2, 23-25,263-267,282-286,AND 498-507 ARE DISORDERED AND NOT SEEN IN THE CRYSTAL STRUCTURE
Rfactor
Num. reflection
% reflection
Rfree
0.2617
964
5.1 %
Rwork
0.1917
-
-
obs
0.1952
18767
97.11 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.45→66.642 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3717
0
66
7
3790
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.01
3893
X-RAY DIFFRACTION
f_angle_d
1.442
5289
X-RAY DIFFRACTION
f_dihedral_angle_d
15.417
1490
X-RAY DIFFRACTION
f_chiral_restr
0.054
585
X-RAY DIFFRACTION
f_plane_restr
0.008
666
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.4502-2.5793
0.3504
124
0.2927
2516
X-RAY DIFFRACTION
97
2.5793-2.7409
0.3731
156
0.2813
2495
X-RAY DIFFRACTION
98
2.7409-2.9526
0.3585
147
0.2738
2523
X-RAY DIFFRACTION
98
2.9526-3.2497
0.3285
135
0.262
2541
X-RAY DIFFRACTION
97
3.2497-3.7199
0.3139
141
0.2231
2501
X-RAY DIFFRACTION
97
3.7199-4.6865
0.2125
135
0.1576
2562
X-RAY DIFFRACTION
97
4.6865-66.6667
0.208
126
0.1483
2665
X-RAY DIFFRACTION
96
Refinement TLS params.
Method: refined / Origin x: -19.3037 Å / Origin y: -23.7738 Å / Origin z: -13.3766 Å
11
12
13
21
22
23
31
32
33
T
0.2884 Å2
-0.0189 Å2
0.0383 Å2
-
0.4623 Å2
-0.0587 Å2
-
-
0.3684 Å2
L
3.5951 °2
-2.035 °2
-0.5672 °2
-
4.9494 °2
0.6277 °2
-
-
2.0672 °2
S
0.1004 Å °
0.4199 Å °
-0.1064 Å °
-0.0985 Å °
-0.2069 Å °
-0.3323 Å °
0.1631 Å °
-0.0674 Å °
0.0673 Å °
Refinement TLS group
Selection details: ALL
+
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