Resolution: 1.27→44.25 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.968 / SU B: 1.534 / SU ML: 0.029 / Cross valid method: THROUGHOUT / ESU R: 0.047 / ESU R Free: 0.047 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.1788
2861
4.927 %
Rwork
0.1457
-
-
all
0.147
-
-
obs
-
55201
95.003 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 16.898 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0 Å2
0 Å2
0 Å2
2-
-
0 Å2
0 Å2
3-
-
-
0 Å2
Refinement step
Cycle: LAST / Resolution: 1.27→44.25 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1967
0
12
185
2164
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.013
2021
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
2022
X-RAY DIFFRACTION
r_angle_refined_deg
1.942
1.638
2732
X-RAY DIFFRACTION
r_angle_other_deg
1.654
1.572
4655
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.087
5
261
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
26.393
20.476
105
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.699
15
360
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.584
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.126
0.2
253
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
2276
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
423
X-RAY DIFFRACTION
r_nbd_refined
0.24
0.2
389
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.176
0.2
1816
X-RAY DIFFRACTION
r_nbtor_refined
0.175
0.2
995
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.083
0.2
993
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.121
0.2
101
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.218
0.2
10
X-RAY DIFFRACTION
r_nbd_other
0.195
0.2
91
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.085
0.2
16
X-RAY DIFFRACTION
r_mcbond_it
2.355
1.406
1041
X-RAY DIFFRACTION
r_mcbond_other
2.351
1.406
1040
X-RAY DIFFRACTION
r_mcangle_it
2.893
2.123
1303
X-RAY DIFFRACTION
r_mcangle_other
2.892
2.123
1304
X-RAY DIFFRACTION
r_scbond_it
4.084
1.952
980
X-RAY DIFFRACTION
r_scbond_other
4.083
1.951
981
X-RAY DIFFRACTION
r_scangle_it
4.788
2.736
1429
X-RAY DIFFRACTION
r_scangle_other
4.787
2.736
1430
X-RAY DIFFRACTION
r_lrange_it
4.892
18.527
2208
X-RAY DIFFRACTION
r_lrange_other
4.782
18.173
2181
X-RAY DIFFRACTION
r_rigid_bond_restr
4.314
3
4042
LS refinement shell
Refine-ID: X-RAY DIFFRACTION
Resolution (Å)
Highest resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
% reflection obs (%)
1.27-1.302
0.321
156
0.299
2691
63.0984
1.302-1.338
0.278
153
0.235
3334
79.9954
1.338-1.377
0.246
189
0.184
3646
90.0235
1.377-1.419
0.227
153
0.152
3947
98.1566
1.419-1.465
0.187
224
0.121
3801
99.9752
1.465-1.517
0.185
202
0.112
3637
100
1.517-1.574
0.176
186
0.111
3577
100
1.574-1.638
0.168
187
0.112
3444
100
1.638-1.711
0.163
147
0.115
3310
100
1.711-1.795
0.18
170
0.129
3158
99.97
1.795-1.891
0.18
166
0.12
2978
100
1.891-2.006
0.148
154
0.133
2836
100
2.006-2.144
0.155
124
0.127
2697
100
2.144-2.316
0.17
137
0.132
2490
100
2.316-2.537
0.188
135
0.146
2286
99.7528
2.537-2.836
0.173
96
0.148
2096
100
2.836-3.273
0.19
96
0.165
1860
100
3.273-4.006
0.182
82
0.152
1591
100
4.006-5.654
0.167
62
0.16
1247
99.6954
5.654
0.159
44
0.188
723
99.4812
+
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