Resolution: 2.55→48.645 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.92 / SU B: 12.696 / SU ML: 0.271 / Cross valid method: THROUGHOUT / ESU R Free: 0.343 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2523
2301
5.061 %
Rwork
0.2008
-
-
all
0.203
-
-
obs
-
45463
96.849 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 54.132 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.753 Å2
0 Å2
0.423 Å2
2-
-
0.459 Å2
0 Å2
3-
-
-
-2.24 Å2
Refinement step
Cycle: LAST / Resolution: 2.55→48.645 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
11166
0
348
64
11578
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.01
0.012
11664
X-RAY DIFFRACTION
r_angle_refined_deg
1.585
1.674
15798
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.593
5
1458
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
28.865
20.309
582
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.276
15
2034
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.395
15
120
X-RAY DIFFRACTION
r_chiral_restr
0.121
0.2
1482
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
8604
X-RAY DIFFRACTION
r_nbd_refined
0.231
0.2
5276
X-RAY DIFFRACTION
r_nbtor_refined
0.308
0.2
7876
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.162
0.2
391
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.29
0.2
115
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.263
0.2
12
X-RAY DIFFRACTION
r_mcbond_it
5.149
4.995
5868
X-RAY DIFFRACTION
r_mcangle_it
7.253
7.482
7314
X-RAY DIFFRACTION
r_scbond_it
6.69
5.772
5796
X-RAY DIFFRACTION
r_scangle_it
9.304
8.411
8484
X-RAY DIFFRACTION
r_lrange_it
11.723
69.886
17169
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.099
0.05
7343
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.098
0.05
7308
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.092
0.05
7340
X-RAY DIFFRACTION
r_ncsr_local_group_4
0.094
0.05
7314
X-RAY DIFFRACTION
r_ncsr_local_group_5
0.082
0.05
7391
X-RAY DIFFRACTION
r_ncsr_local_group_6
0.092
0.05
7361
X-RAY DIFFRACTION
r_ncsr_local_group_7
0.085
0.05
7404
X-RAY DIFFRACTION
r_ncsr_local_group_8
0.09
0.05
7382
X-RAY DIFFRACTION
r_ncsr_local_group_9
0.094
0.05
7334
X-RAY DIFFRACTION
r_ncsr_local_group_10
0.09
0.05
7348
X-RAY DIFFRACTION
r_ncsr_local_group_11
0.093
0.05
7340
X-RAY DIFFRACTION
r_ncsr_local_group_12
0.094
0.05
7332
X-RAY DIFFRACTION
r_ncsr_local_group_13
0.088
0.05
7327
X-RAY DIFFRACTION
r_ncsr_local_group_14
0.092
0.05
7284
X-RAY DIFFRACTION
r_ncsr_local_group_15
0.096
0.05
7288
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 (%)
2.55-2.616
0.331
133
0.273
2576
78.227
2.616-2.688
0.322
143
0.289
2808
88.3533
2.688-2.766
0.338
191
0.264
3027
98.8329
2.766-2.851
0.365
127
0.266
3074
99.6575
2.851-2.944
0.288
133
0.243
2923
99.804
2.944-3.048
0.322
157
0.234
2839
99.7337
3.048-3.163
0.279
145
0.226
2701
99.6848
3.163-3.292
0.249
100
0.197
2635
98.8078
3.292-3.438
0.263
116
0.214
2515
98.2817
3.438-3.606
0.258
123
0.202
2351
97.9802
3.606-3.8
0.22
122
0.182
2301
99.753
3.8-4.031
0.227
117
0.177
2181
99.6963
4.031-4.309
0.245
110
0.179
2016
99.4853
4.309-4.654
0.247
123
0.165
1885
99.6032
4.654-5.097
0.222
88
0.167
1749
98.3405
5.097-5.698
0.232
111
0.185
1559
98.9923
5.698-6.577
0.299
103
0.208
1389
99.5995
6.577-8.05
0.205
75
0.187
1178
98.9731
8.05-11.363
0.166
58
0.156
910
97.5807
11.363
0.27
26
0.263
545
98.11
+
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