Method to determine structure: SAD / Resolution: 2.4→36.097 Å / SU ML: 0.38 / Cross valid method: THROUGHOUT / σ(F): 1.44 / Phase error: 31.24 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2923
2000
9.45 %
Rwork
0.2131
-
-
obs
0.2206
21154
80.83 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.4→36.097 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
4374
0
0
0
4374
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.009
4432
X-RAY DIFFRACTION
f_angle_d
0.947
5993
X-RAY DIFFRACTION
f_dihedral_angle_d
3.367
2622
X-RAY DIFFRACTION
f_chiral_restr
0.054
702
X-RAY DIFFRACTION
f_plane_restr
0.005
764
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.4004-2.4604
0.4127
48
0.2485
461
X-RAY DIFFRACTION
27
2.4604-2.5269
0.3601
63
0.2454
610
X-RAY DIFFRACTION
37
2.5269-2.6012
0.3203
86
0.2565
808
X-RAY DIFFRACTION
48
2.6012-2.6852
0.2993
109
0.2612
1058
X-RAY DIFFRACTION
64
2.6852-2.7811
0.3312
137
0.2615
1304
X-RAY DIFFRACTION
77
2.7811-2.8924
0.337
161
0.2706
1550
X-RAY DIFFRACTION
92
2.8924-3.024
0.3311
168
0.2638
1606
X-RAY DIFFRACTION
96
3.024-3.1833
0.3582
173
0.243
1654
X-RAY DIFFRACTION
97
3.1833-3.3826
0.3175
170
0.2211
1624
X-RAY DIFFRACTION
97
3.3826-3.6436
0.2902
174
0.1979
1676
X-RAY DIFFRACTION
99
3.6436-4.0098
0.2567
174
0.1845
1663
X-RAY DIFFRACTION
99
4.0098-4.5891
0.2245
177
0.1661
1688
X-RAY DIFFRACTION
99
4.5891-5.7779
0.2717
178
0.1882
1706
X-RAY DIFFRACTION
99
5.7779-36.097
0.293
182
0.2175
1746
X-RAY DIFFRACTION
99
+
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