Resolution: 1.2→37.128 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.947 / Cross valid method: THROUGHOUT / ESU R: 0.047 / ESU R Free: 0.049 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2346
2326
5.062 %
Rwork
0.2094
43626
-
all
0.211
-
-
obs
-
45952
96.761 %
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: 13.729 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.169 Å2
0.084 Å2
0 Å2
2-
-
0.169 Å2
-0 Å2
3-
-
-
-0.547 Å2
Refinement step
Cycle: LAST / Resolution: 1.2→37.128 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1039
0
26
209
1274
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.016
0.013
1087
X-RAY DIFFRACTION
r_bond_other_d
0.036
0.017
1014
X-RAY DIFFRACTION
r_angle_refined_deg
1.981
1.679
1476
X-RAY DIFFRACTION
r_angle_other_deg
2.436
1.611
2350
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.754
5
142
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
34.684
21.707
41
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
11.672
15
160
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
24.444
15
5
X-RAY DIFFRACTION
r_chiral_restr
0.092
0.2
158
X-RAY DIFFRACTION
r_gen_planes_refined
0.011
0.02
1205
X-RAY DIFFRACTION
r_gen_planes_other
0.015
0.02
226
X-RAY DIFFRACTION
r_nbd_refined
0.151
0.2
142
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.21
0.2
963
X-RAY DIFFRACTION
r_nbtor_refined
0.169
0.2
559
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.111
0.2
513
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.166
0.2
105
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.095
0.2
5
X-RAY DIFFRACTION
r_nbd_other
0.176
0.2
25
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.203
0.2
9
X-RAY DIFFRACTION
r_mcbond_it
1.316
1.162
571
X-RAY DIFFRACTION
r_mcbond_other
1.301
1.16
570
X-RAY DIFFRACTION
r_mcangle_it
2.008
1.746
712
X-RAY DIFFRACTION
r_mcangle_other
2.009
1.748
713
X-RAY DIFFRACTION
r_scbond_it
2.153
1.393
516
X-RAY DIFFRACTION
r_scbond_other
2.151
1.394
517
X-RAY DIFFRACTION
r_scangle_it
3.259
1.999
764
X-RAY DIFFRACTION
r_scangle_other
3.257
2
765
X-RAY DIFFRACTION
r_lrange_it
5.188
24.795
4826
X-RAY DIFFRACTION
r_lrange_other
4.455
23.256
4579
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.2-1.231
0.297
186
0.304
3069
X-RAY DIFFRACTION
94.184
1.231-1.265
0.271
142
0.276
3039
X-RAY DIFFRACTION
94.5039
1.265-1.302
0.321
165
0.29
2974
X-RAY DIFFRACTION
95.0636
1.302-1.342
0.313
156
0.266
2856
X-RAY DIFFRACTION
95.3165
1.342-1.386
0.267
153
0.257
2810
X-RAY DIFFRACTION
95.4575
1.386-1.434
0.282
138
0.255
2744
X-RAY DIFFRACTION
96.1628
1.434-1.488
0.311
149
0.248
2617
X-RAY DIFFRACTION
96.2422
1.488-1.549
0.281
146
0.261
2538
X-RAY DIFFRACTION
96.4774
1.549-1.618
0.306
116
0.243
2484
X-RAY DIFFRACTION
96.9787
1.618-1.697
0.269
125
0.244
2381
X-RAY DIFFRACTION
97.2826
1.697-1.788
0.269
97
0.23
2287
X-RAY DIFFRACTION
97.745
1.788-1.897
0.22
142
0.201
2120
X-RAY DIFFRACTION
97.9221
1.897-2.027
0.211
138
0.213
2024
X-RAY DIFFRACTION
98.1389
2.027-2.189
0.187
96
0.199
1935
X-RAY DIFFRACTION
98.6401
2.189-2.398
0.19
90
0.167
1783
X-RAY DIFFRACTION
98.7348
2.398-2.68
0.186
82
0.178
1638
X-RAY DIFFRACTION
99.1926
2.68-3.093
0.227
65
0.179
1473
X-RAY DIFFRACTION
99.4825
3.093-3.784
0.201
57
0.167
1242
X-RAY DIFFRACTION
99.7696
3.784-5.333
0.178
45
0.166
1016
X-RAY DIFFRACTION
99.4377
5.333-37.1
0.284
38
0.238
596
X-RAY DIFFRACTION
100
+
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