Resolution: 1.3907→29.091 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.965 / SU ML: 0.16 / σ(F): 1.23 / Phase error: 16.76 / Stereochemistry target values: ML / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Rfree
0.1857
9421
5.01 %
Rwork
0.1687
-
-
obs
0.1696
188164
96.95 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 39.547 Å2 / ksol: 0.345 e/Å3
Displacement parameters
Baniso -1
Baniso -2
Baniso -3
1-
-0.7744 Å2
-0 Å2
0 Å2
2-
-
-0.7744 Å2
-0 Å2
3-
-
-
1.5487 Å2
Refinement step
Cycle: LAST / Resolution: 1.3907→29.091 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3624
0
24
580
4228
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.005
3808
X-RAY DIFFRACTION
f_angle_d
1.02
5152
X-RAY DIFFRACTION
f_dihedral_angle_d
12.584
1432
X-RAY DIFFRACTION
f_chiral_restr
0.071
557
X-RAY DIFFRACTION
f_plane_restr
0.004
663
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.3907-1.4065
0.2361
319
0.221
6000
X-RAY DIFFRACTION
98
1.4065-1.4231
0.2372
326
0.2155
6114
X-RAY DIFFRACTION
100
1.4231-1.4404
0.2152
289
0.203
6192
X-RAY DIFFRACTION
100
1.4404-1.4586
0.2131
339
0.2027
6146
X-RAY DIFFRACTION
100
1.4586-1.4778
0.2021
338
0.191
6144
X-RAY DIFFRACTION
100
1.4778-1.4981
0.2219
295
0.1852
6157
X-RAY DIFFRACTION
100
1.4981-1.5195
0.1983
352
0.1777
6103
X-RAY DIFFRACTION
100
1.5195-1.5422
0.1856
341
0.1784
6148
X-RAY DIFFRACTION
100
1.5422-1.5663
0.2047
341
0.1768
6108
X-RAY DIFFRACTION
100
1.5663-1.5919
0.1821
292
0.1674
6186
X-RAY DIFFRACTION
100
1.5919-1.6194
0.1959
321
0.162
6155
X-RAY DIFFRACTION
100
1.6194-1.6488
0.172
310
0.1634
6156
X-RAY DIFFRACTION
100
1.6488-1.6805
0.1961
330
0.1572
6141
X-RAY DIFFRACTION
100
1.6805-1.7148
0.205
304
0.1577
6189
X-RAY DIFFRACTION
100
1.7148-1.7521
0.1732
336
0.1616
6097
X-RAY DIFFRACTION
100
1.7521-1.7929
0.179
311
0.1609
6164
X-RAY DIFFRACTION
100
1.7929-1.8377
0.1793
358
0.1602
6123
X-RAY DIFFRACTION
100
1.8377-1.8874
0.1864
298
0.1529
6163
X-RAY DIFFRACTION
100
1.8874-1.9429
0.2456
251
0.1906
5013
X-RAY DIFFRACTION
81
1.9429-2.0056
0.1764
302
0.1586
6136
X-RAY DIFFRACTION
100
2.0056-2.0773
0.1925
323
0.1553
6199
X-RAY DIFFRACTION
100
2.0773-2.1604
0.1842
315
0.1557
6116
X-RAY DIFFRACTION
100
2.1604-2.2587
0.1694
265
0.1731
4667
X-RAY DIFFRACTION
77
2.2587-2.3777
0.1936
271
0.163
4922
X-RAY DIFFRACTION
80
2.3777-2.5266
0.1853
291
0.165
6155
X-RAY DIFFRACTION
100
2.5266-2.7216
0.1569
347
0.1667
6123
X-RAY DIFFRACTION
100
2.7216-2.9952
0.1709
354
0.1662
6123
X-RAY DIFFRACTION
100
2.9952-3.428
0.1769
334
0.1566
6132
X-RAY DIFFRACTION
100
3.428-4.3167
0.1625
249
0.1469
4525
X-RAY DIFFRACTION
74
4.3167-29.0969
0.1725
319
0.1635
6146
X-RAY DIFFRACTION
100
+
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