Method to determine structure: SAD / Resolution: 1.67→31.067 Å / SU ML: 0.22 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 27.48 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2567
10162
4.97 %
Rwork
0.2249
-
-
obs
0.2265
204392
93.64 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.67→31.067 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
12860
0
0
248
13108
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.007
13102
X-RAY DIFFRACTION
f_angle_d
0.797
17642
X-RAY DIFFRACTION
f_dihedral_angle_d
2.986
8082
X-RAY DIFFRACTION
f_chiral_restr
0.053
2042
X-RAY DIFFRACTION
f_plane_restr
0.004
2202
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.6702-1.6892
0.3354
218
0.3232
4141
X-RAY DIFFRACTION
60
1.6892-1.7091
0.3456
254
0.3166
4491
X-RAY DIFFRACTION
66
1.7091-1.7299
0.3625
264
0.3046
5448
X-RAY DIFFRACTION
77
1.7299-1.7518
0.3039
298
0.3025
6112
X-RAY DIFFRACTION
90
1.7518-1.7749
0.332
378
0.2878
6497
X-RAY DIFFRACTION
92
1.7749-1.7992
0.3116
406
0.2754
6288
X-RAY DIFFRACTION
94
1.7992-1.8249
0.3061
272
0.2672
6661
X-RAY DIFFRACTION
95
1.8249-1.8521
0.2973
435
0.2624
6660
X-RAY DIFFRACTION
96
1.8521-1.8811
0.2992
350
0.277
6628
X-RAY DIFFRACTION
96
1.8811-1.9119
0.2995
405
0.2798
6583
X-RAY DIFFRACTION
96
1.9119-1.9449
0.318
342
0.2803
6718
X-RAY DIFFRACTION
96
1.9449-1.9802
0.3138
397
0.2687
6580
X-RAY DIFFRACTION
97
1.9802-2.0183
0.2902
370
0.2669
6645
X-RAY DIFFRACTION
97
2.0183-2.0595
0.321
306
0.2674
6732
X-RAY DIFFRACTION
97
2.0595-2.1043
0.3183
319
0.2559
6826
X-RAY DIFFRACTION
97
2.1043-2.1532
0.2487
373
0.243
6613
X-RAY DIFFRACTION
97
2.1532-2.207
0.3536
354
0.2548
6781
X-RAY DIFFRACTION
97
2.207-2.2667
0.2955
323
0.2474
6753
X-RAY DIFFRACTION
97
2.2667-2.3334
0.2748
291
0.2371
6759
X-RAY DIFFRACTION
97
2.3334-2.4087
0.2637
359
0.2398
6651
X-RAY DIFFRACTION
97
2.4087-2.4947
0.2423
351
0.2426
6791
X-RAY DIFFRACTION
97
2.4947-2.5945
0.3053
363
0.2383
6697
X-RAY DIFFRACTION
97
2.5945-2.7126
0.2519
440
0.2414
6642
X-RAY DIFFRACTION
97
2.7126-2.8555
0.2921
352
0.2325
6755
X-RAY DIFFRACTION
97
2.8555-3.0342
0.2592
384
0.2404
6713
X-RAY DIFFRACTION
98
3.0342-3.2683
0.244
248
0.2363
6945
X-RAY DIFFRACTION
98
3.2683-3.5967
0.281
326
0.2271
6815
X-RAY DIFFRACTION
98
3.5967-4.1162
0.2071
341
0.1829
6804
X-RAY DIFFRACTION
98
4.1162-5.1821
0.1737
376
0.1628
6762
X-RAY DIFFRACTION
98
5.1821-31.067
0.2358
267
0.1882
6739
X-RAY DIFFRACTION
96
+
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