Resolution: 2.48→20.001 Å / Cor.coef. Fo:Fc: 0.906 / Cor.coef. Fo:Fc free: 0.883 / Cross valid method: THROUGHOUT / ESU R: 0.318 / ESU R Free: 0.244 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2598
1983
6.453 %
Rwork
0.2281
28746
-
all
0.23
-
-
obs
-
30729
99.727 %
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: 28.554 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.002 Å2
0 Å2
0 Å2
2-
-
-0.002 Å2
0 Å2
3-
-
-
0.005 Å2
Refinement step
Cycle: LAST / Resolution: 2.48→20.001 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3796
0
0
136
3932
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.015
0.013
3869
X-RAY DIFFRACTION
r_bond_other_d
0.036
0.017
3537
X-RAY DIFFRACTION
r_angle_refined_deg
1.776
1.635
5250
X-RAY DIFFRACTION
r_angle_other_deg
2.325
1.572
8194
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.25
5
483
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
38.061
22.936
218
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
16.068
15
637
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
18.792
15
25
X-RAY DIFFRACTION
r_chiral_restr
0.101
0.2
514
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
4394
X-RAY DIFFRACTION
r_gen_planes_other
0.005
0.02
801
X-RAY DIFFRACTION
r_nbd_refined
0.23
0.2
797
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.236
0.2
3338
X-RAY DIFFRACTION
r_nbtor_refined
0.184
0.2
1897
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.08
0.2
1951
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.211
0.2
157
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.114
0.2
6
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.284
0.2
16
X-RAY DIFFRACTION
r_nbd_other
0.267
0.2
59
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.184
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
3.043
3.053
1944
X-RAY DIFFRACTION
r_mcbond_other
3.041
3.051
1943
X-RAY DIFFRACTION
r_mcangle_it
4.135
4.546
2423
X-RAY DIFFRACTION
r_mcangle_other
4.135
4.548
2424
X-RAY DIFFRACTION
r_scbond_it
4.478
3.278
1925
X-RAY DIFFRACTION
r_scbond_other
4.477
3.279
1926
X-RAY DIFFRACTION
r_scangle_it
6.038
4.804
2827
X-RAY DIFFRACTION
r_scangle_other
6.037
4.806
2828
X-RAY DIFFRACTION
r_lrange_it
6.481
36.108
4266
X-RAY DIFFRACTION
r_lrange_other
6.48
36.035
4241
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.48-2.544
0.322
143
0.278
2108
X-RAY DIFFRACTION
100
2.544-2.614
0.317
138
0.252
2035
X-RAY DIFFRACTION
99.954
2.614-2.69
0.27
140
0.251
1962
X-RAY DIFFRACTION
100
2.69-2.772
0.285
132
0.239
1927
X-RAY DIFFRACTION
100
2.772-2.863
0.3
128
0.228
1869
X-RAY DIFFRACTION
100
2.863-2.964
0.307
123
0.221
1827
X-RAY DIFFRACTION
100
2.964-3.075
0.213
125
0.2
1763
X-RAY DIFFRACTION
100
3.075-3.201
0.235
117
0.209
1679
X-RAY DIFFRACTION
100
3.201-3.343
0.24
113
0.209
1626
X-RAY DIFFRACTION
100
3.343-3.506
0.265
108
0.219
1555
X-RAY DIFFRACTION
100
3.506-3.695
0.234
101
0.215
1482
X-RAY DIFFRACTION
100
3.695-3.919
0.234
95
0.205
1406
X-RAY DIFFRACTION
100
3.919-4.189
0.249
91
0.206
1342
X-RAY DIFFRACTION
100
4.189-4.523
0.225
85
0.196
1253
X-RAY DIFFRACTION
100
4.523-4.954
0.257
81
0.203
1145
X-RAY DIFFRACTION
100
4.954-5.536
0.321
73
0.264
1052
X-RAY DIFFRACTION
100
5.536-6.388
0.275
66
0.256
939
X-RAY DIFFRACTION
100
6.388-7.812
0.274
57
0.255
805
X-RAY DIFFRACTION
100
7.812-9.002
0.29
45
0.25
646
X-RAY DIFFRACTION
100
8-10
0.349
22
0.33
325
X-RAY DIFFRACTION
80.6977
+
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