Resolution: 1.798→39.201 Å / SU ML: 0.46 / Isotropic thermal model: isotropic - one B-factor per atom / σ(F): 1.99 / Phase error: 21.96 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.219
4243
5 %
RANDOM
Rwork
0.1752
-
-
-
obs
0.1773
84914
99.15 %
-
all
-
85740
-
-
Solvent computation
Shrinkage radii: 0.77 Å / VDW probe radii: 0.9 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 45.281 Å2 / ksol: 0.401 e/Å3
Displacement parameters
Biso mean: 24.05 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-7.806 Å2
0 Å2
-1.875 Å2
2-
-
0.9844 Å2
-0 Å2
3-
-
-
6.8216 Å2
Refinement step
Cycle: LAST / Resolution: 1.798→39.201 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
6431
0
192
989
7612
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
6746
X-RAY DIFFRACTION
f_angle_d
1.096
9204
X-RAY DIFFRACTION
f_dihedral_angle_d
14.443
2334
X-RAY DIFFRACTION
f_chiral_restr
0.059
1104
X-RAY DIFFRACTION
f_plane_restr
0.004
1135
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.7981-1.8185
0.3042
125
0.2725
2332
X-RAY DIFFRACTION
87
1.8185-1.8399
0.2977
147
0.2546
2707
X-RAY DIFFRACTION
100
1.8399-1.8624
0.3111
142
0.258
2686
X-RAY DIFFRACTION
100
1.8624-1.8859
0.3158
141
0.2455
2740
X-RAY DIFFRACTION
100
1.8859-1.9107
0.3074
131
0.234
2670
X-RAY DIFFRACTION
100
1.9107-1.9369
0.232
140
0.2175
2695
X-RAY DIFFRACTION
100
1.9369-1.9646
0.2389
147
0.2115
2670
X-RAY DIFFRACTION
100
1.9646-1.9939
0.28
147
0.1943
2745
X-RAY DIFFRACTION
100
1.9939-2.0251
0.23
142
0.1961
2641
X-RAY DIFFRACTION
100
2.0251-2.0583
0.2762
138
0.1917
2728
X-RAY DIFFRACTION
100
2.0583-2.0938
0.2406
137
0.1985
2705
X-RAY DIFFRACTION
100
2.0938-2.1318
0.2792
146
0.1885
2682
X-RAY DIFFRACTION
100
2.1318-2.1728
0.2073
139
0.1792
2719
X-RAY DIFFRACTION
100
2.1728-2.2172
0.2464
141
0.1743
2660
X-RAY DIFFRACTION
100
2.2172-2.2654
0.2109
143
0.1716
2713
X-RAY DIFFRACTION
100
2.2654-2.3181
0.2304
147
0.1628
2726
X-RAY DIFFRACTION
100
2.3181-2.376
0.2665
142
0.1685
2677
X-RAY DIFFRACTION
99
2.376-2.4403
0.2151
138
0.1684
2669
X-RAY DIFFRACTION
100
2.4403-2.5121
0.219
145
0.1632
2697
X-RAY DIFFRACTION
100
2.5121-2.5931
0.2311
140
0.1658
2713
X-RAY DIFFRACTION
100
2.5931-2.6858
0.2026
145
0.1597
2725
X-RAY DIFFRACTION
100
2.6858-2.7933
0.2072
144
0.1586
2698
X-RAY DIFFRACTION
100
2.7933-2.9204
0.2308
142
0.1619
2702
X-RAY DIFFRACTION
99
2.9204-3.0743
0.2156
141
0.1648
2702
X-RAY DIFFRACTION
100
3.0743-3.2668
0.2037
143
0.1731
2721
X-RAY DIFFRACTION
99
3.2668-3.5189
0.2151
140
0.1681
2681
X-RAY DIFFRACTION
99
3.5189-3.8727
0.1966
141
0.1627
2664
X-RAY DIFFRACTION
98
3.8727-4.4325
0.1613
140
0.1458
2713
X-RAY DIFFRACTION
99
4.4325-5.5819
0.1688
145
0.1495
2724
X-RAY DIFFRACTION
99
5.5819-39.2098
0.199
144
0.19
2766
X-RAY DIFFRACTION
99
+
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