Resolution: 2→23.66 Å / SU ML: 0.3 / σ(F): 1.45 / Phase error: 23.94 / Stereochemistry target values: ML / Details: DISORDERED REGIONS WERE NOT INCLUDED IN THE MODEL
Rfactor
Num. reflection
% reflection
Rfree
0.264
1268
4.8 %
Rwork
0.187
-
-
obs
0.191
26312
93.7 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 75.61 Å2 / ksol: 0.4 e/Å3
Displacement parameters
Biso mean: 33.94 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-8.7679 Å2
-0 Å2
0 Å2
2-
-
-4.7871 Å2
-0 Å2
3-
-
-
13.555 Å2
Refinement step
Cycle: LAST / Resolution: 2→23.66 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1351
0
27
130
1508
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.008
1418
X-RAY DIFFRACTION
f_angle_d
1.266
1904
X-RAY DIFFRACTION
f_dihedral_angle_d
19.338
536
X-RAY DIFFRACTION
f_chiral_restr
0.081
198
X-RAY DIFFRACTION
f_plane_restr
0.008
246
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.0003-2.0803
0.2437
91
0.2297
2048
X-RAY DIFFRACTION
69
2.0803-2.1749
0.2455
143
0.2219
2394
X-RAY DIFFRACTION
82
2.1749-2.2895
0.2934
148
0.2005
2895
X-RAY DIFFRACTION
98
2.2895-2.4328
0.2743
161
0.1883
2968
X-RAY DIFFRACTION
99
2.4328-2.6204
0.2756
154
0.189
2954
X-RAY DIFFRACTION
99
2.6204-2.8837
0.2359
137
0.1786
2961
X-RAY DIFFRACTION
99
2.8837-3.3
0.2463
136
0.1744
2991
X-RAY DIFFRACTION
100
3.3-4.154
0.2555
163
0.1602
2957
X-RAY DIFFRACTION
100
4.154-23.6592
0.2721
135
0.195
2876
X-RAY DIFFRACTION
97
+
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