Resolution: 2.8→47.743 Å / Cor.coef. Fo:Fc: 0.928 / Cor.coef. Fo:Fc free: 0.898 / Cross valid method: THROUGHOUT / ESU R Free: 0.394 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.247
618
5.053 %
Rwork
0.2072
-
-
all
0.209
-
-
obs
-
12231
98.852 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å
Displacement parameters
Biso mean: 44.864 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-2.179 Å2
0 Å2
0 Å2
2-
-
2.129 Å2
0 Å2
3-
-
-
0.05 Å2
Refinement step
Cycle: LAST / Resolution: 2.8→47.743 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3544
0
13
60
3617
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.004
0.013
3625
X-RAY DIFFRACTION
r_bond_other_d
0.037
0.017
3267
X-RAY DIFFRACTION
r_angle_refined_deg
1.359
1.645
4958
X-RAY DIFFRACTION
r_angle_other_deg
2.424
1.568
7567
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
10.668
5
480
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.148
23.029
175
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.854
15
523
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.653
15
21
X-RAY DIFFRACTION
r_chiral_restr
0.055
0.2
502
X-RAY DIFFRACTION
r_gen_planes_refined
0.004
0.02
4191
X-RAY DIFFRACTION
r_gen_planes_other
0.005
0.02
740
X-RAY DIFFRACTION
r_nbd_refined
0.187
0.2
724
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.219
0.2
3133
X-RAY DIFFRACTION
r_nbtor_refined
0.156
0.2
1774
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.071
0.2
1665
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.16
0.2
100
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.141
0.2
5
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.114
0.2
7
X-RAY DIFFRACTION
r_nbd_other
0.208
0.2
36
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.197
0.2
3
X-RAY DIFFRACTION
r_mcbond_it
1.934
4.816
1923
X-RAY DIFFRACTION
r_mcbond_other
1.934
4.815
1922
X-RAY DIFFRACTION
r_mcangle_it
3.099
7.22
2402
X-RAY DIFFRACTION
r_mcangle_other
3.099
7.221
2403
X-RAY DIFFRACTION
r_scbond_it
1.887
4.959
1702
X-RAY DIFFRACTION
r_scbond_other
1.886
4.958
1703
X-RAY DIFFRACTION
r_scangle_it
3.171
7.377
2556
X-RAY DIFFRACTION
r_scangle_other
3.17
7.377
2557
X-RAY DIFFRACTION
r_lrange_it
4.87
56.689
3846
X-RAY DIFFRACTION
r_lrange_other
4.87
56.681
3847
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.799-2.872
0.309
44
0.277
833
X-RAY DIFFRACTION
97.7703
2.872-2.95
0.366
53
0.267
805
X-RAY DIFFRACTION
99.6516
2.95-3.036
0.341
41
0.273
791
X-RAY DIFFRACTION
99.4026
3.036-3.129
0.252
51
0.242
782
X-RAY DIFFRACTION
99.1667
3.129-3.231
0.23
36
0.235
754
X-RAY DIFFRACTION
99.1217
3.231-3.344
0.295
50
0.229
722
X-RAY DIFFRACTION
99.6129
3.344-3.47
0.293
26
0.234
721
X-RAY DIFFRACTION
99.2032
3.47-3.612
0.283
36
0.218
680
X-RAY DIFFRACTION
98.895
3.612-3.772
0.221
30
0.203
656
X-RAY DIFFRACTION
98.5632
3.772-3.955
0.233
37
0.19
621
X-RAY DIFFRACTION
98.3558
3.955-4.168
0.217
25
0.166
605
X-RAY DIFFRACTION
98.7461
4.168-4.42
0.182
38
0.162
563
X-RAY DIFFRACTION
98.8487
4.42-4.723
0.254
17
0.168
537
X-RAY DIFFRACTION
97.3638
4.723-5.1
0.221
23
0.19
518
X-RAY DIFFRACTION
98.3636
5.1-5.583
0.235
29
0.199
454
X-RAY DIFFRACTION
99.5876
5.583-6.236
0.239
28
0.194
418
X-RAY DIFFRACTION
98.6726
6.236-7.19
0.18
14
0.202
400
X-RAY DIFFRACTION
99.759
7.19-8.779
0.187
18
0.159
324
X-RAY DIFFRACTION
99.1304
8.779-12.304
0.194
11
0.187
268
X-RAY DIFFRACTION
98.9362
12.304-47.7
0.346
11
0.306
161
X-RAY DIFFRACTION
95.5556
+
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