Resolution: 1.7→65.36 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.96 / Cross valid method: THROUGHOUT / ESU R: 0.101 / ESU R Free: 0.098 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2242
1638
5.112 %
Rwork
0.1987
30407
-
all
0.2
-
-
obs
-
32045
99.953 %
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: 38.772 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.67 Å2
0.835 Å2
0 Å2
2-
-
1.67 Å2
0 Å2
3-
-
-
-5.416 Å2
Refinement step
Cycle: LAST / Resolution: 1.7→65.36 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1810
0
54
75
1939
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.013
1910
X-RAY DIFFRACTION
r_bond_other_d
0.036
0.017
1763
X-RAY DIFFRACTION
r_angle_refined_deg
1.657
1.644
2612
X-RAY DIFFRACTION
r_angle_other_deg
2.414
1.573
4043
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.577
5
251
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
30.557
19.667
90
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.985
15
262
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
17.404
15
18
X-RAY DIFFRACTION
r_chiral_restr
0.08
0.2
266
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
2195
X-RAY DIFFRACTION
r_gen_planes_other
0.013
0.02
422
X-RAY DIFFRACTION
r_nbd_refined
0.218
0.2
402
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.222
0.2
1577
X-RAY DIFFRACTION
r_nbtor_refined
0.162
0.2
927
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.069
0.2
811
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.15
0.2
86
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.123
0.2
2
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.107
0.2
17
X-RAY DIFFRACTION
r_nbd_other
0.221
0.2
65
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.124
0.2
12
X-RAY DIFFRACTION
r_mcbond_it
3.305
4.082
1004
X-RAY DIFFRACTION
r_mcbond_other
3.291
4.079
1002
X-RAY DIFFRACTION
r_mcangle_it
4.077
6.1
1252
X-RAY DIFFRACTION
r_mcangle_other
4.068
6.099
1252
X-RAY DIFFRACTION
r_scbond_it
3.78
4.335
905
X-RAY DIFFRACTION
r_scbond_other
3.778
4.335
906
X-RAY DIFFRACTION
r_scangle_it
5.292
6.389
1359
X-RAY DIFFRACTION
r_scangle_other
5.29
6.389
1360
X-RAY DIFFRACTION
r_lrange_it
6.234
49.192
2085
X-RAY DIFFRACTION
r_lrange_other
6.236
49.157
2081
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.7-1.744
0.359
126
0.355
2189
X-RAY DIFFRACTION
99.9137
1.744-1.792
0.34
101
0.318
2161
X-RAY DIFFRACTION
100
1.792-1.844
0.317
113
0.28
2081
X-RAY DIFFRACTION
100
1.844-1.901
0.336
111
0.257
2040
X-RAY DIFFRACTION
100
1.901-1.963
0.3
86
0.23
2004
X-RAY DIFFRACTION
100
1.963-2.032
0.252
105
0.233
1894
X-RAY DIFFRACTION
100
2.032-2.108
0.262
102
0.22
1852
X-RAY DIFFRACTION
100
2.108-2.194
0.218
91
0.199
1790
X-RAY DIFFRACTION
100
2.194-2.292
0.253
92
0.19
1707
X-RAY DIFFRACTION
100
2.292-2.404
0.265
82
0.191
1648
X-RAY DIFFRACTION
99.9422
2.404-2.534
0.218
92
0.184
1558
X-RAY DIFFRACTION
100
2.534-2.687
0.24
91
0.179
1477
X-RAY DIFFRACTION
100
2.687-2.873
0.229
68
0.168
1423
X-RAY DIFFRACTION
100
2.873-3.103
0.272
69
0.171
1313
X-RAY DIFFRACTION
100
3.103-3.399
0.194
71
0.186
1218
X-RAY DIFFRACTION
100
3.399-3.8
0.182
70
0.19
1097
X-RAY DIFFRACTION
100
3.8-4.387
0.177
43
0.171
1007
X-RAY DIFFRACTION
100
4.387-5.37
0.211
52
0.183
849
X-RAY DIFFRACTION
100
5.37-7.586
0.274
47
0.227
678
X-RAY DIFFRACTION
100
7.586-65.36
0.124
26
0.219
421
X-RAY DIFFRACTION
99.7768
+
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