Method to determine structure: SAD / Resolution: 2.346→38.234 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 27 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2423
3424
5.48 %
Rwork
0.1966
-
-
obs
0.1991
62499
81.23 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.346→38.234 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2961
2050
0
274
5285
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.013
5311
X-RAY DIFFRACTION
f_angle_d
1.281
7604
X-RAY DIFFRACTION
f_dihedral_angle_d
30.862
2152
X-RAY DIFFRACTION
f_chiral_restr
0.361
868
X-RAY DIFFRACTION
f_plane_restr
0.008
609
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.3463-2.3798
0.3724
78
0.2906
1245
X-RAY DIFFRACTION
41
2.3798-2.4153
0.3098
80
0.2772
1356
X-RAY DIFFRACTION
45
2.4153-2.4531
0.3139
83
0.2683
1438
X-RAY DIFFRACTION
47
2.4531-2.4933
0.3328
82
0.2502
1555
X-RAY DIFFRACTION
52
2.4933-2.5362
0.2637
93
0.2604
1729
X-RAY DIFFRACTION
55
2.5362-2.5824
0.2632
121
0.2417
1781
X-RAY DIFFRACTION
60
2.5824-2.632
0.2879
96
0.2344
1971
X-RAY DIFFRACTION
65
2.632-2.6857
0.2831
134
0.2299
2119
X-RAY DIFFRACTION
71
2.6857-2.7441
0.2931
124
0.2342
2365
X-RAY DIFFRACTION
77
2.7441-2.8079
0.2505
146
0.2505
2342
X-RAY DIFFRACTION
78
2.8079-2.8781
0.2865
144
0.2515
2614
X-RAY DIFFRACTION
86
2.8781-2.9559
0.2852
180
0.2387
2768
X-RAY DIFFRACTION
91
2.9559-3.0429
0.2937
166
0.2313
2803
X-RAY DIFFRACTION
93
3.0429-3.141
0.2563
163
0.2208
2904
X-RAY DIFFRACTION
96
3.141-3.2532
0.2493
164
0.2117
2959
X-RAY DIFFRACTION
97
3.2532-3.3834
0.2973
172
0.1973
3054
X-RAY DIFFRACTION
100
3.3834-3.5373
0.2249
189
0.2002
3000
X-RAY DIFFRACTION
100
3.5373-3.7236
0.219
174
0.1816
3022
X-RAY DIFFRACTION
99
3.7236-3.9567
0.2255
161
0.1754
3000
X-RAY DIFFRACTION
99
3.9567-4.2618
0.1789
169
0.158
3021
X-RAY DIFFRACTION
100
4.2618-4.69
0.2111
180
0.1433
3054
X-RAY DIFFRACTION
100
4.69-5.3671
0.1993
181
0.162
3003
X-RAY DIFFRACTION
100
5.3671-6.7559
0.2458
176
0.1873
3040
X-RAY DIFFRACTION
100
6.7559-38.234
0.2239
168
0.1836
2932
X-RAY DIFFRACTION
97
Refinement TLS params.
Method: refined / Origin x: -17.2213 Å / Origin y: -20.2224 Å / Origin z: 6.7972 Å
11
12
13
21
22
23
31
32
33
T
0.1844 Å2
0.0009 Å2
-0.0185 Å2
-
0.2295 Å2
0.0093 Å2
-
-
0.1999 Å2
L
0.4487 °2
-0.117 °2
-0.116 °2
-
1.0197 °2
0.1579 °2
-
-
0.145 °2
S
0.0191 Å °
-0.0129 Å °
-0.0175 Å °
0.0328 Å °
-0.029 Å °
-0.0084 Å °
-0.0107 Å °
-0.0099 Å °
0.0127 Å °
Refinement TLS group
Selection details: all
+
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