Resolution: 1.735→52.752 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.948 / Cross valid method: FREE R-VALUE / ESU R: 0.123 / ESU R Free: 0.108 Details: Hydrogens have been used if present in the input file
Rfactor
Num. reflection
% reflection
Rfree
0.2009
1151
4.824 %
Rwork
0.184
22710
-
all
0.185
-
-
obs
-
23861
94.518 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL PLUS MASK
Displacement parameters
Biso mean: 21.369 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.614 Å2
-0 Å2
0.689 Å2
2-
-
0.585 Å2
-0 Å2
3-
-
-
-0.089 Å2
Refinement step
Cycle: LAST / Resolution: 1.735→52.752 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1872
0
7
98
1977
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.014
0.012
1990
X-RAY DIFFRACTION
r_angle_refined_deg
1.508
1.637
2710
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.674
5
257
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
28.452
21.351
111
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
12.28
15
338
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
21.871
15
16
X-RAY DIFFRACTION
r_chiral_restr
0.07
0.2
245
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.02
1562
X-RAY DIFFRACTION
r_nbd_refined
0.203
0.2
819
X-RAY DIFFRACTION
r_nbtor_refined
0.307
0.2
1336
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.157
0.2
105
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.148
0.2
76
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.134
0.2
16
X-RAY DIFFRACTION
r_mcbond_it
3.14
1.728
966
X-RAY DIFFRACTION
r_mcangle_it
4.248
2.571
1210
X-RAY DIFFRACTION
r_scbond_it
5.182
2.259
1024
X-RAY DIFFRACTION
r_scangle_it
7.37
3.181
1488
X-RAY DIFFRACTION
r_lrange_it
8.639
24.953
2933
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.735-1.78
0.264
78
0.262
1519
X-RAY DIFFRACTION
87.5548
1.78-1.828
0.356
77
0.26
1589
X-RAY DIFFRACTION
91.6392
1.828-1.881
0.282
76
0.228
1613
X-RAY DIFFRACTION
94.8344
1.881-1.939
0.268
57
0.212
1272
X-RAY DIFFRACTION
79.0131
1.939-2.003
0.17
76
0.191
1559
X-RAY DIFFRACTION
98.494
2.003-2.073
0.208
72
0.185
1308
X-RAY DIFFRACTION
85.7143
2.073-2.151
0.187
63
0.17
1391
X-RAY DIFFRACTION
96.6755
2.151-2.239
0.206
63
0.173
1419
X-RAY DIFFRACTION
98.8659
2.239-2.338
0.186
73
0.176
1350
X-RAY DIFFRACTION
98.6824
2.338-2.452
0.221
61
0.178
1298
X-RAY DIFFRACTION
98.6928
2.452-2.584
0.153
57
0.18
1214
X-RAY DIFFRACTION
98.8336
2.584-2.741
0.212
74
0.177
1139
X-RAY DIFFRACTION
98.5378
2.741-2.93
0.228
52
0.185
1097
X-RAY DIFFRACTION
98.7113
2.93-3.164
0.242
56
0.183
999
X-RAY DIFFRACTION
97.235
3.164-3.465
0.205
47
0.177
943
X-RAY DIFFRACTION
98.2143
3.465-3.872
0.142
47
0.154
846
X-RAY DIFFRACTION
97.3828
3.872-4.467
0.173
39
0.15
739
X-RAY DIFFRACTION
96.4064
4.467-5.463
0.178
34
0.182
626
X-RAY DIFFRACTION
97.0588
5.463-7.693
0.212
33
0.235
501
X-RAY DIFFRACTION
96.7391
7.693-52.752
0.235
16
0.217
288
X-RAY DIFFRACTION
95.899
+
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