Diffraction-ID: 1 / Rejects: _ / % possible all: 100
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. measured all
Num. unique obs
CC1/2
Rpim(I) all
Rrim(I) all
Net I/σ(I) obs
1.42-1.45
23.2
1.458
54225
2342
0.441
0.309
1.491
2.9
7.79-75.29
23.1
0.029
8724
378
1
0.006
0.029
72.8
-
Processing
Software
Name
Version
Classification
PHENIX
(dev_2733: ???)
refinement
Aimless
0.5.28
datascaling
PDB_EXTRACT
3.2
dataextraction
MOSFLM
datareduction
SHELXCD
phasing
Refinement
Method to determine structure: SAD / Resolution: 1.423→38.088 Å / SU ML: 0.16 / Cross valid method: THROUGHOUT / σ(F): 0.57 / Phase error: 17.37 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.1795
4740
5.21 %
RANDOM
Rwork
0.1441
-
-
-
obs
0.1459
90962
99.98 %
-
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 1.423→38.088 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1473
0
4
285
1762
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.015
1549
X-RAY DIFFRACTION
f_angle_d
1.313
2108
X-RAY DIFFRACTION
f_dihedral_angle_d
17.542
560
X-RAY DIFFRACTION
f_chiral_restr
0.11
230
X-RAY DIFFRACTION
f_plane_restr
0.01
277
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.423-1.4392
0.3295
132
0.3157
2900
X-RAY DIFFRACTION
100
1.4392-1.4561
0.3202
185
0.3048
2853
X-RAY DIFFRACTION
100
1.4561-1.4739
0.3609
158
0.2991
2892
X-RAY DIFFRACTION
100
1.4739-1.4926
0.2694
162
0.2701
2851
X-RAY DIFFRACTION
100
1.4926-1.5122
0.3271
159
0.2556
2854
X-RAY DIFFRACTION
100
1.5122-1.5329
0.2596
137
0.2377
2917
X-RAY DIFFRACTION
100
1.5329-1.5548
0.239
158
0.2081
2855
X-RAY DIFFRACTION
100
1.5548-1.578
0.2349
150
0.2173
2872
X-RAY DIFFRACTION
100
1.578-1.6027
0.2306
159
0.2018
2922
X-RAY DIFFRACTION
100
1.6027-1.629
0.2406
148
0.1857
2871
X-RAY DIFFRACTION
100
1.629-1.6571
0.2084
146
0.1724
2870
X-RAY DIFFRACTION
100
1.6571-1.6872
0.1981
175
0.1661
2868
X-RAY DIFFRACTION
100
1.6872-1.7196
0.2108
132
0.1514
2877
X-RAY DIFFRACTION
100
1.7196-1.7547
0.2105
158
0.1492
2904
X-RAY DIFFRACTION
100
1.7547-1.7929
0.1923
169
0.1611
2872
X-RAY DIFFRACTION
100
1.7929-1.8346
0.1999
170
0.1513
2847
X-RAY DIFFRACTION
100
1.8346-1.8805
0.1723
194
0.1322
2851
X-RAY DIFFRACTION
100
1.8805-1.9313
0.1921
151
0.1359
2859
X-RAY DIFFRACTION
100
1.9313-1.9881
0.1574
175
0.1143
2845
X-RAY DIFFRACTION
100
1.9881-2.0523
0.1742
181
0.1116
2870
X-RAY DIFFRACTION
100
2.0523-2.1257
0.1351
141
0.1054
2885
X-RAY DIFFRACTION
100
2.1257-2.2108
0.1526
143
0.113
2913
X-RAY DIFFRACTION
100
2.2108-2.3114
0.1779
171
0.1153
2814
X-RAY DIFFRACTION
100
2.3114-2.4332
0.1693
135
0.1188
2921
X-RAY DIFFRACTION
100
2.4332-2.5856
0.1547
154
0.1221
2868
X-RAY DIFFRACTION
100
2.5856-2.7852
0.1958
163
0.1446
2869
X-RAY DIFFRACTION
100
2.7852-3.0654
0.1971
154
0.1375
2887
X-RAY DIFFRACTION
100
3.0654-3.5087
0.135
161
0.1297
2862
X-RAY DIFFRACTION
100
3.5087-4.4195
0.1316
166
0.1046
2877
X-RAY DIFFRACTION
100
4.4195-38.1018
0.1589
153
0.1442
2876
X-RAY DIFFRACTION
100
+
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