Resolution: 2.43→29.567 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 34.8 / Stereochemistry target values: ML / Details: Anisotropic limits were used to truncate the data
Rfactor
Num. reflection
% reflection
Rfree
0.2934
739
4.97 %
Rwork
0.2658
-
-
obs
0.2672
14859
54.89 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.43→29.567 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3113
0
56
11
3180
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.002
3221
X-RAY DIFFRACTION
f_angle_d
0.564
4411
X-RAY DIFFRACTION
f_dihedral_angle_d
9.131
1161
X-RAY DIFFRACTION
f_chiral_restr
0.022
548
X-RAY DIFFRACTION
f_plane_restr
0.003
572
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.4304-2.618
0.2868
13
0.3079
292
X-RAY DIFFRACTION
6
2.618-2.8813
0.3551
53
0.301
1025
X-RAY DIFFRACTION
20
2.8813-3.2977
0.3572
134
0.3054
2740
X-RAY DIFFRACTION
53
3.2977-4.1529
0.3035
266
0.2878
4874
X-RAY DIFFRACTION
95
4.1529-29.5689
0.2613
273
0.2335
5189
X-RAY DIFFRACTION
99
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
0.2562
-0.0488
-0.1575
0.2181
0.0314
0.0961
-0.1328
-0.2575
-0.0271
0.2212
0.1013
-0.0286
0.0653
0.1294
-0.3566
0.2017
0.243
0.0058
0.2795
0.0374
-0.085
-18.7472
19.1803
-65.4541
2
0.1313
0.0133
-0.0131
0.085
-0.0166
0.1824
0.0229
-0.0477
0.0186
0.0524
-0.0009
-0.0092
-0.0375
0.0443
0.0937
1.0111
0.0686
-0.2239
1.0151
0.177
0.2783
-11.3062
20.8169
-21.187
3
0.048
0.0499
0.0082
0.0538
0.0074
0.0347
0.0429
0.1345
0.0062
-0.096
-0.0167
0.0195
-0.0162
-0.0205
0.0793
0.7498
-0
-0.1442
0.7299
0.0969
0.114
-4.6363
6.6088
26.2283
4
0.1562
0.1079
-0.0129
0.172
0.0095
0.0214
0.0883
-0.1495
-0.0419
0.1652
-0.0875
-0.0645
0.0026
0.0352
0.0753
0.1223
-0.2173
-0.0618
0.2089
0.0647
-0.0511
1.277
4.6645
74.5689
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Selection details
1
X-RAY DIFFRACTION
1
chain 'A' and ((resseq1:97))
2
X-RAY DIFFRACTION
2
chain 'A' and ((resseq98:206))
3
X-RAY DIFFRACTION
3
chain 'A' and ((resseq207:314))
4
X-RAY DIFFRACTION
4
chain 'A' and ((resseq315:417))
+
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