Method to determine structure: SAD / Resolution: 2.2→46.71 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 36.56 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2392
830
4.54 %
RANDOM
Rwork
0.2105
-
-
-
obs
0.2119
18271
99.86 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.2→46.71 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2150
0
27
76
2253
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.01
2212
X-RAY DIFFRACTION
f_angle_d
1.225
3000
X-RAY DIFFRACTION
f_dihedral_angle_d
15.909
299
X-RAY DIFFRACTION
f_chiral_restr
0.068
356
X-RAY DIFFRACTION
f_plane_restr
0.006
379
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.2-2.34
0.3323
142
0.3009
2873
X-RAY DIFFRACTION
100
2.34-2.52
0.3033
129
0.2492
2886
X-RAY DIFFRACTION
100
2.52-2.78
0.3528
131
0.3386
2899
X-RAY DIFFRACTION
100
2.78-3.18
0.3013
138
0.2958
2919
X-RAY DIFFRACTION
100
3.18-4
0.2815
146
0.2262
2884
X-RAY DIFFRACTION
100
4-46.71
0.1835
144
0.1609
2980
X-RAY DIFFRACTION
100
+
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