Resolution: 2.7→29.125 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.947 / SU B: 9.866 / SU ML: 0.212 / Cross valid method: FREE R-VALUE / ESU R Free: 0.061 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.1901
578
5.055 %
Rwork
0.1579
10856
-
all
0.16
-
-
obs
-
11434
99.331 %
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: 64.349 Å2
Baniso -1
Baniso -2
Baniso -3
1-
17.984 Å2
0 Å2
0 Å2
2-
-
17.984 Å2
0 Å2
3-
-
-
-35.968 Å2
Refinement step
Cycle: LAST / Resolution: 2.7→29.125 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3306
0
0
11
3317
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.005
0.013
3350
X-RAY DIFFRACTION
r_bond_other_d
0.003
0.017
3114
X-RAY DIFFRACTION
r_angle_refined_deg
1.167
1.627
4534
X-RAY DIFFRACTION
r_angle_other_deg
1.035
1.564
7238
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.066
5
428
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
31.774
25.031
163
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
13.816
15
582
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
10.14
15
12
X-RAY DIFFRACTION
r_chiral_restr
0.022
0.2
460
X-RAY DIFFRACTION
r_gen_planes_refined
0.002
0.02
3755
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
633
X-RAY DIFFRACTION
r_nbd_refined
0.156
0.2
716
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.157
0.2
2650
X-RAY DIFFRACTION
r_nbtor_refined
0.133
0.2
1643
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.078
0.2
1321
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.115
0.2
70
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.081
0.2
11
X-RAY DIFFRACTION
r_nbd_other
0.138
0.2
91
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.052
0.2
7
X-RAY DIFFRACTION
r_mcbond_it
0.647
7.054
1730
X-RAY DIFFRACTION
r_mcbond_other
0.647
7.054
1729
X-RAY DIFFRACTION
r_mcangle_it
1.227
10.575
2152
X-RAY DIFFRACTION
r_mcangle_other
1.227
10.575
2153
X-RAY DIFFRACTION
r_scbond_it
0.311
7.069
1620
X-RAY DIFFRACTION
r_scbond_other
0.311
7.068
1618
X-RAY DIFFRACTION
r_scangle_it
0.669
10.582
2382
X-RAY DIFFRACTION
r_scangle_other
0.669
10.582
2382
X-RAY DIFFRACTION
r_lrange_it
2.829
84.332
3703
X-RAY DIFFRACTION
r_lrange_other
2.828
84.34
3704
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.7-2.77
0.269
56
0.235
797
X-RAY DIFFRACTION
97.9334
2.77-2.845
0.274
38
0.232
744
X-RAY DIFFRACTION
100
2.845-2.927
0.286
22
0.211
794
X-RAY DIFFRACTION
100
2.927-3.016
0.208
22
0.212
753
X-RAY DIFFRACTION
100
3.016-3.114
0.307
30
0.205
736
X-RAY DIFFRACTION
98.8387
3.114-3.222
0.25
44
0.181
668
X-RAY DIFFRACTION
99.5804
3.222-3.342
0.167
38
0.197
682
X-RAY DIFFRACTION
100
3.342-3.476
0.158
30
0.173
662
X-RAY DIFFRACTION
99.4253
3.476-3.629
0.211
40
0.155
570
X-RAY DIFFRACTION
100
3.629-3.803
0.228
34
0.14
593
X-RAY DIFFRACTION
99.8408
3.803-4.005
0.209
36
0.139
563
X-RAY DIFFRACTION
98.8449
4.005-4.244
0.191
22
0.144
515
X-RAY DIFFRACTION
100
4.244-4.53
0.134
24
0.123
522
X-RAY DIFFRACTION
99.635
4.53-4.884
0.196
30
0.139
441
X-RAY DIFFRACTION
97.7178
4.884-5.336
0.279
35
0.157
429
X-RAY DIFFRACTION
99.7849
5.336-5.942
0.082
16
0.187
389
X-RAY DIFFRACTION
97.5904
5.942-6.817
0.139
18
0.162
343
X-RAY DIFFRACTION
97.832
6.817-8.243
0.127
22
0.117
274
X-RAY DIFFRACTION
99.6633
8.243-11.241
0.125
14
0.094
230
X-RAY DIFFRACTION
99.5918
11.241-29.125
0.158
7
0.185
151
X-RAY DIFFRACTION
99.3711
+
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