Resolution: 2.703→38.093 Å / Cor.coef. Fo:Fc: 0.942 / Cor.coef. Fo:Fc free: 0.878 / SU B: 17.603 / SU ML: 0.355 / Cross valid method: FREE R-VALUE / ESU R Free: 0.448 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.293
2490
4.982 %
Rwork
0.198
47490
-
all
0.203
-
-
obs
-
49980
98.306 %
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: 58.994 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.028 Å2
0 Å2
-0.014 Å2
2-
-
0.019 Å2
0 Å2
3-
-
-
0.012 Å2
Refinement step
Cycle: LAST / Resolution: 2.703→38.093 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
14381
0
0
147
14528
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.008
0.013
14594
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
14207
X-RAY DIFFRACTION
r_angle_refined_deg
1.579
1.621
19747
X-RAY DIFFRACTION
r_angle_other_deg
1.231
1.577
32638
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.269
5
1952
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
41.914
23.948
651
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.059
15
2433
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.272
15
65
X-RAY DIFFRACTION
r_chiral_restr
0.063
0.2
2031
X-RAY DIFFRACTION
r_gen_planes_refined
0.006
0.02
16939
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.02
3171
X-RAY DIFFRACTION
r_nbd_refined
0.213
0.2
3198
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.186
0.2
14143
X-RAY DIFFRACTION
r_nbtor_refined
0.154
0.2
6992
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.079
0.2
7466
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.175
0.2
403
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.071
0.2
10
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.151
0.2
29
X-RAY DIFFRACTION
r_nbd_other
0.171
0.2
117
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.233
0.2
5
X-RAY DIFFRACTION
r_mcbond_it
4.999
6.105
7847
X-RAY DIFFRACTION
r_mcbond_other
4.99
6.105
7846
X-RAY DIFFRACTION
r_mcangle_it
7.563
9.136
9783
X-RAY DIFFRACTION
r_mcangle_other
7.562
9.136
9784
X-RAY DIFFRACTION
r_scbond_it
4.928
6.565
6747
X-RAY DIFFRACTION
r_scbond_other
4.928
6.566
6748
X-RAY DIFFRACTION
r_scangle_it
7.589
9.658
9963
X-RAY DIFFRACTION
r_scangle_other
7.588
9.659
9964
X-RAY DIFFRACTION
r_lrange_it
10.916
73.257
15565
X-RAY DIFFRACTION
r_lrange_other
10.915
73.263
15566
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.703-2.773
0.355
168
0.249
3402
X-RAY DIFFRACTION
96.1487
2.773-2.849
0.336
166
0.235
3481
X-RAY DIFFRACTION
100
2.849-2.932
0.324
177
0.227
3380
X-RAY DIFFRACTION
99.9719
2.932-3.022
0.344
163
0.214
3259
X-RAY DIFFRACTION
99.8832
3.022-3.121
0.314
162
0.223
3182
X-RAY DIFFRACTION
99.9402
3.121-3.23
0.341
161
0.214
3074
X-RAY DIFFRACTION
100
3.23-3.352
0.351
149
0.22
2934
X-RAY DIFFRACTION
99.8704
3.352-3.489
0.316
136
0.201
2892
X-RAY DIFFRACTION
99.7037
3.489-3.644
0.284
134
0.173
2739
X-RAY DIFFRACTION
99.6531
3.644-3.822
0.273
132
0.179
2607
X-RAY DIFFRACTION
99.5276
3.822-4.029
0.262
145
0.184
2469
X-RAY DIFFRACTION
99.3539
4.029-4.273
0.258
130
0.161
2321
X-RAY DIFFRACTION
98.7908
4.273-4.568
0.266
109
0.154
2170
X-RAY DIFFRACTION
97.1027
4.568-4.933
0.279
129
0.172
1987
X-RAY DIFFRACTION
96.8421
4.933-5.404
0.273
103
0.2
1841
X-RAY DIFFRACTION
97.4925
5.404-6.041
0.28
105
0.191
1688
X-RAY DIFFRACTION
98.5165
6.041-6.973
0.288
81
0.171
1518
X-RAY DIFFRACTION
98.948
6.973-8.537
0.247
72
0.19
1231
X-RAY DIFFRACTION
94.9017
8.537-12.055
0.283
37
0.246
830
X-RAY DIFFRACTION
80.6512
12.055-30.093
0.375
31
0.318
483
X-RAY DIFFRACTION
83.9869
+
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