Resolution: 1.2→34.954 Å / SU ML: 0.09 / σ(F): 0 / Phase error: 16.23 / Stereochemistry target values: ML Details: ANISOTROPIC ATOMIC DISPLACEMENT PARAMETERS WERE REFINED FOR ALL NON-H ATOMS EXCEPT FOR THE SOLVENT
Rfactor
Num. reflection
% reflection
Rfree
0.1493
1876
1.7 %
Rwork
0.1293
-
-
obs
0.1296
113119
82.75 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Biso mean: 15.2 Å2
Refinement step
Cycle: LAST / Resolution: 1.2→34.954 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3374
0
3
602
3979
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.008
3685
X-RAY DIFFRACTION
f_angle_d
1.182
5041
X-RAY DIFFRACTION
f_dihedral_angle_d
13.093
1373
X-RAY DIFFRACTION
f_chiral_restr
0.07
537
X-RAY DIFFRACTION
f_plane_restr
0.007
670
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.198-1.2304
0.177
60
0.1956
3754
X-RAY DIFFRACTION
36
1.2304-1.2666
0.2357
72
0.1669
5043
X-RAY DIFFRACTION
49
1.2666-1.3075
0.1927
133
0.1636
6761
X-RAY DIFFRACTION
66
1.3075-1.3542
0.1869
136
0.1489
8519
X-RAY DIFFRACTION
83
1.3542-1.4084
0.1942
164
0.1381
8896
X-RAY DIFFRACTION
87
1.4084-1.4725
0.1607
145
0.1306
9210
X-RAY DIFFRACTION
89
1.4725-1.5501
0.1613
163
0.1227
9246
X-RAY DIFFRACTION
90
1.5501-1.6473
0.15
154
0.1175
9534
X-RAY DIFFRACTION
92
1.6473-1.7744
0.1369
166
0.1261
9699
X-RAY DIFFRACTION
94
1.7744-1.953
0.1522
171
0.1256
9814
X-RAY DIFFRACTION
95
1.953-2.2356
0.1397
168
0.1198
10063
X-RAY DIFFRACTION
97
2.2356-2.8164
0.1307
169
0.1258
10234
X-RAY DIFFRACTION
99
2.8164-34.9694
0.1423
175
0.1289
10470
X-RAY DIFFRACTION
99
+
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