Resolution: 2.67→85.93 Å / Cor.coef. Fo:Fc: 0.945 / Cor.coef. Fo:Fc free: 0.872 / SU B: 15.846 / SU ML: 0.309 / Cross valid method: FREE R-VALUE / ESU R Free: 0.408 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2657
961
4.893 %
Rwork
0.1754
18678
-
all
0.18
-
-
obs
-
19639
91.502 %
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: 33.021 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.176 Å2
-0 Å2
0 Å2
2-
-
0.169 Å2
-0 Å2
3-
-
-
0.007 Å2
Refinement step
Cycle: LAST / Resolution: 2.67→85.93 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
5203
0
73
349
5625
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.013
5415
X-RAY DIFFRACTION
r_bond_other_d
0.001
0.017
4840
X-RAY DIFFRACTION
r_angle_refined_deg
1.65
1.653
7361
X-RAY DIFFRACTION
r_angle_other_deg
1.264
1.572
11150
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.788
5
660
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
32.448
19.506
324
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
18.936
15
804
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.928
15
64
X-RAY DIFFRACTION
r_chiral_restr
0.072
0.2
662
X-RAY DIFFRACTION
r_gen_planes_refined
0.008
0.02
6204
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
1276
X-RAY DIFFRACTION
r_nbd_refined
0.203
0.2
1196
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.206
0.2
5050
X-RAY DIFFRACTION
r_nbtor_refined
0.166
0.2
2596
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.083
0.2
2520
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.185
0.2
277
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.041
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.22
0.2
18
X-RAY DIFFRACTION
r_nbd_other
0.2
0.2
56
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.175
0.2
6
X-RAY DIFFRACTION
r_mcbond_it
3.053
3.368
2655
X-RAY DIFFRACTION
r_mcbond_other
3.049
3.367
2654
X-RAY DIFFRACTION
r_mcangle_it
4.786
5.03
3309
X-RAY DIFFRACTION
r_mcangle_other
4.786
5.032
3310
X-RAY DIFFRACTION
r_scbond_it
3.592
3.76
2760
X-RAY DIFFRACTION
r_scbond_other
3.591
3.76
2761
X-RAY DIFFRACTION
r_scangle_it
5.631
5.486
4052
X-RAY DIFFRACTION
r_scangle_other
5.63
5.487
4053
X-RAY DIFFRACTION
r_lrange_it
10.033
63.664
25067
X-RAY DIFFRACTION
r_lrange_other
10.033
63.662
25066
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.67-2.739
0.405
66
0.348
1087
X-RAY DIFFRACTION
74.1479
2.739-2.814
0.359
57
0.291
1097
X-RAY DIFFRACTION
75.8213
2.814-2.896
0.358
49
0.236
1113
X-RAY DIFFRACTION
78.4605
2.896-2.985
0.311
54
0.221
1112
X-RAY DIFFRACTION
81.0848
2.985-3.082
0.312
55
0.212
1119
X-RAY DIFFRACTION
84.0974
3.082-3.19
0.302
69
0.21
1143
X-RAY DIFFRACTION
89.7113
3.19-3.311
0.346
56
0.203
1240
X-RAY DIFFRACTION
97.3704
3.311-3.446
0.284
56
0.184
1186
X-RAY DIFFRACTION
99.5192
3.446-3.599
0.281
56
0.174
1150
X-RAY DIFFRACTION
99.6694
3.599-3.774
0.219
66
0.157
1098
X-RAY DIFFRACTION
99.4872
3.774-3.978
0.238
58
0.148
1032
X-RAY DIFFRACTION
99.4526
3.978-4.218
0.28
53
0.148
1007
X-RAY DIFFRACTION
99.7178
4.218-4.509
0.202
51
0.139
929
X-RAY DIFFRACTION
99.4924
4.509-4.869
0.21
52
0.137
864
X-RAY DIFFRACTION
99.5652
4.869-5.332
0.274
44
0.16
817
X-RAY DIFFRACTION
99.5376
5.332-5.959
0.31
37
0.157
738
X-RAY DIFFRACTION
99.6144
5.959-6.875
0.301
29
0.153
661
X-RAY DIFFRACTION
98.9957
6.875-8.406
0.192
24
0.13
565
X-RAY DIFFRACTION
99.6616
8-10
0.114
10
0.114
270
X-RAY DIFFRACTION
95.8904
8.406-11.832
0.135
19
0.113
450
X-RAY DIFFRACTION
98.9451
+
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