Resolution: 1.701→41.675 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.934 / SU B: 2.416 / SU ML: 0.078 / Cross valid method: THROUGHOUT / ESU R: 0.133 / ESU R Free: 0.133 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2399
469
5.196 %
Rwork
0.1879
8558
-
all
0.191
-
-
obs
-
9027
88.491 %
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: 15.893 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.01 Å2
0.005 Å2
-0 Å2
2-
-
0.01 Å2
0 Å2
3-
-
-
-0.031 Å2
Refinement step
Cycle: LAST / Resolution: 1.701→41.675 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
0
378
327
107
812
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.033
0.019
788
X-RAY DIFFRACTION
r_bond_other_d
0.03
0.024
358
X-RAY DIFFRACTION
r_angle_refined_deg
3.256
2.377
1192
X-RAY DIFFRACTION
r_angle_other_deg
3.509
2.604
840
X-RAY DIFFRACTION
r_chiral_restr
0.197
0.2
152
X-RAY DIFFRACTION
r_chiral_restr_other
1.478
0.2
26
X-RAY DIFFRACTION
r_gen_planes_refined
0.018
0.021
418
X-RAY DIFFRACTION
r_gen_planes_other
0.001
0.023
136
X-RAY DIFFRACTION
r_nbd_refined
0.124
0.2
94
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.239
0.2
479
X-RAY DIFFRACTION
r_nbtor_refined
0.25
0.2
317
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.294
0.2
189
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.14
0.2
73
X-RAY DIFFRACTION
r_metal_ion_refined
0.079
0.2
1
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.287
0.2
10
X-RAY DIFFRACTION
r_nbd_other
0.188
0.2
46
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.185
0.2
20
X-RAY DIFFRACTION
r_scbond_it
2.3
1.586
788
X-RAY DIFFRACTION
r_scbond_other
2.299
1.595
789
X-RAY DIFFRACTION
r_scangle_it
3.691
2.367
1192
X-RAY DIFFRACTION
r_scangle_other
3.689
2.376
1193
X-RAY DIFFRACTION
r_lrange_it
7.786
14.436
1131
X-RAY DIFFRACTION
r_lrange_other
7.776
14.229
1113
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.701-1.745
0.298
13
0.173
246
X-RAY DIFFRACTION
36.4276
1.745-1.793
0.282
15
0.201
348
X-RAY DIFFRACTION
48.7903
1.793-1.845
0.309
26
0.22
433
X-RAY DIFFRACTION
65.3846
1.845-1.902
0.267
20
0.241
593
X-RAY DIFFRACTION
91.3562
1.902-1.964
0.289
43
0.248
591
X-RAY DIFFRACTION
97.9907
1.964-2.033
0.268
26
0.199
628
X-RAY DIFFRACTION
100
2.033-2.11
0.24
42
0.217
563
X-RAY DIFFRACTION
100
2.11-2.196
0.21
28
0.186
567
X-RAY DIFFRACTION
100
2.196-2.293
0.331
33
0.219
543
X-RAY DIFFRACTION
98.9691
2.293-2.405
0.248
31
0.184
519
X-RAY DIFFRACTION
100
2.405-2.535
0.323
45
0.185
488
X-RAY DIFFRACTION
100
2.535-2.689
0.323
22
0.215
481
X-RAY DIFFRACTION
100
2.689-2.874
0.216
21
0.201
446
X-RAY DIFFRACTION
100
2.874-3.104
0.191
13
0.178
420
X-RAY DIFFRACTION
99.0847
3.104-3.4
0.18
18
0.161
387
X-RAY DIFFRACTION
99.5086
3.4-3.801
0.231
23
0.16
349
X-RAY DIFFRACTION
98.4127
3.801-4.387
0.145
9
0.134
328
X-RAY DIFFRACTION
100
4.387-5.369
0.133
15
0.136
280
X-RAY DIFFRACTION
100
5.369-7.578
0.152
17
0.183
214
X-RAY DIFFRACTION
99.569
7.578-41.675
0.283
9
0.217
134
X-RAY DIFFRACTION
94.702
+
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