Resolution: 1.8→45.893 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.938 / SU B: 2.197 / SU ML: 0.069 / Cross valid method: THROUGHOUT / ESU R: 0.106 / ESU R Free: 0.108 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2182
1445
4.858 %
Rwork
0.1794
28298
-
all
0.181
-
-
obs
-
29743
99.97 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parameters
Biso mean: 27.668 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.195 Å2
-0 Å2
-0 Å2
2-
-
-0.195 Å2
-0 Å2
3-
-
-
0.39 Å2
Refinement step
Cycle: LAST / Resolution: 1.8→45.893 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1839
0
82
156
2077
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.013
1984
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.018
1663
X-RAY DIFFRACTION
r_angle_refined_deg
1.973
1.708
2729
X-RAY DIFFRACTION
r_angle_other_deg
1.546
1.577
3800
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.921
5
248
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
27.538
22.558
86
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.408
15
246
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
14.674
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.199
0.2
273
X-RAY DIFFRACTION
r_gen_planes_refined
0.013
0.02
2313
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
473
X-RAY DIFFRACTION
r_nbd_refined
0.201
0.2
357
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.191
0.2
1540
X-RAY DIFFRACTION
r_nbtor_refined
0.183
0.2
953
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.085
0.2
950
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.152
0.2
114
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.208
0.2
17
X-RAY DIFFRACTION
r_nbd_other
0.198
0.2
90
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.13
0.2
14
X-RAY DIFFRACTION
r_mcbond_it
2.648
2.79
997
X-RAY DIFFRACTION
r_mcbond_other
2.645
2.786
996
X-RAY DIFFRACTION
r_mcangle_it
3.97
4.15
1241
X-RAY DIFFRACTION
r_mcangle_other
3.968
4.155
1242
X-RAY DIFFRACTION
r_scbond_it
3.098
3.055
987
X-RAY DIFFRACTION
r_scbond_other
3.071
3.018
943
X-RAY DIFFRACTION
r_scangle_it
4.66
4.481
1484
X-RAY DIFFRACTION
r_scangle_other
4.667
4.415
1419
X-RAY DIFFRACTION
r_lrange_it
6.619
32.859
2288
X-RAY DIFFRACTION
r_lrange_other
6.519
32.139
2190
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.8-1.847
0.251
97
0.198
2060
X-RAY DIFFRACTION
99.9537
1.847-1.897
0.236
99
0.202
1991
X-RAY DIFFRACTION
100
1.897-1.952
0.269
101
0.214
1942
X-RAY DIFFRACTION
100
1.952-2.012
0.219
101
0.183
1916
X-RAY DIFFRACTION
100
2.012-2.078
0.224
90
0.181
1828
X-RAY DIFFRACTION
100
2.078-2.151
0.222
100
0.181
1784
X-RAY DIFFRACTION
100
2.151-2.232
0.234
88
0.19
1715
X-RAY DIFFRACTION
100
2.232-2.324
0.254
78
0.195
1669
X-RAY DIFFRACTION
100
2.324-2.427
0.172
83
0.177
1583
X-RAY DIFFRACTION
100
2.427-2.545
0.211
93
0.178
1523
X-RAY DIFFRACTION
100
2.545-2.683
0.246
83
0.183
1459
X-RAY DIFFRACTION
100
2.683-2.845
0.225
70
0.178
1394
X-RAY DIFFRACTION
100
2.845-3.042
0.194
69
0.172
1289
X-RAY DIFFRACTION
100
3.042-3.285
0.229
44
0.178
1259
X-RAY DIFFRACTION
100
3.285-3.598
0.218
65
0.194
1113
X-RAY DIFFRACTION
100
3.598-4.022
0.212
52
0.174
1043
X-RAY DIFFRACTION
100
4.022-4.643
0.169
52
0.147
906
X-RAY DIFFRACTION
100
4.643-5.684
0.226
38
0.15
795
X-RAY DIFFRACTION
100
5.684-8.026
0.224
27
0.196
639
X-RAY DIFFRACTION
100
+
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