Resolution: 2→56.685 Å / SU ML: 0.18 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 18.96 Details: Disulphide bond criteria edited to allow one conformation not to form
Rfactor
Num. reflection
% reflection
Rfree
0.1996
2005
5.04 %
Rwork
0.1422
-
-
obs
0.1451
39776
99.85 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement step
Cycle: LAST / Resolution: 2→56.685 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4730
0
4
533
5267
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.008
4983
X-RAY DIFFRACTION
f_angle_d
0.948
6775
X-RAY DIFFRACTION
f_dihedral_angle_d
12.933
3011
X-RAY DIFFRACTION
f_chiral_restr
0.049
742
X-RAY DIFFRACTION
f_plane_restr
0.007
886
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2-2.0501
0.2433
133
0.167
2642
X-RAY DIFFRACTION
100
2.0501-2.1055
0.209
138
0.1544
2670
X-RAY DIFFRACTION
100
2.1055-2.1674
0.2167
163
0.1458
2627
X-RAY DIFFRACTION
100
2.1674-2.2374
0.217
149
0.1422
2649
X-RAY DIFFRACTION
100
2.2374-2.3174
0.2076
156
0.1367
2664
X-RAY DIFFRACTION
100
2.3174-2.4102
0.1983
132
0.1352
2666
X-RAY DIFFRACTION
100
2.4102-2.5198
0.2023
123
0.1324
2681
X-RAY DIFFRACTION
100
2.5198-2.6527
0.2277
140
0.1489
2682
X-RAY DIFFRACTION
100
2.6527-2.8189
0.2255
130
0.1577
2700
X-RAY DIFFRACTION
100
2.8189-3.0365
0.2107
140
0.158
2721
X-RAY DIFFRACTION
100
3.0365-3.3421
0.2265
145
0.1538
2692
X-RAY DIFFRACTION
100
3.3421-3.8256
0.1794
142
0.1313
2727
X-RAY DIFFRACTION
100
3.8256-4.8195
0.1589
153
0.1124
2762
X-RAY DIFFRACTION
100
4.8195-56.7077
0.1899
161
0.1557
2888
X-RAY DIFFRACTION
100
+
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