Method to determine structure: SAD / Resolution: 2.5→29.73 Å / SU ML: 0.28 / Cross valid method: THROUGHOUT / σ(F): 2.05 / Phase error: 23.1 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2325
4429
5.27 %
Rwork
0.2082
-
-
obs
0.2094
84025
93.48 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 2.5→29.73 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
13825
0
0
110
13935
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.004
14154
X-RAY DIFFRACTION
f_angle_d
1.019
19080
X-RAY DIFFRACTION
f_dihedral_angle_d
8.07
1812
X-RAY DIFFRACTION
f_chiral_restr
0.052
2154
X-RAY DIFFRACTION
f_plane_restr
0.015
2400
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.5-2.53
0.2614
107
0.2514
1305
X-RAY DIFFRACTION
47
2.53-2.56
0.2751
74
0.265
1653
X-RAY DIFFRACTION
58
2.56-2.59
0.3512
36
0.2608
2259
X-RAY DIFFRACTION
76
2.59-2.62
0.2602
74
0.248
2643
X-RAY DIFFRACTION
88
2.62-2.65
0.2514
102
0.2363
2535
X-RAY DIFFRACTION
93
2.65-2.69
0.3129
212
0.2442
2640
X-RAY DIFFRACTION
95
2.69-2.73
0.2886
200
0.232
2789
X-RAY DIFFRACTION
96
2.73-2.77
0.2446
240
0.223
2611
X-RAY DIFFRACTION
97
2.77-2.81
0.2593
144
0.2274
2684
X-RAY DIFFRACTION
97
2.81-2.86
0.2446
167
0.2291
2820
X-RAY DIFFRACTION
98
2.86-2.91
0.3099
196
0.2394
2716
X-RAY DIFFRACTION
97
2.91-2.96
0.2599
153
0.248
2733
X-RAY DIFFRACTION
98
2.96-3.02
0.2756
159
0.2253
2732
X-RAY DIFFRACTION
97
3.02-3.08
0.3221
200
0.2344
2676
X-RAY DIFFRACTION
97
3.08-3.15
0.2166
116
0.2262
2725
X-RAY DIFFRACTION
95
3.15-3.22
0.3008
169
0.2116
2848
X-RAY DIFFRACTION
98
3.22-3.3
0.2294
155
0.2091
2753
X-RAY DIFFRACTION
99
3.3-3.39
0.2435
119
0.2092
2880
X-RAY DIFFRACTION
98
3.39-3.49
0.2485
206
0.2176
2709
X-RAY DIFFRACTION
98
3.49-3.6
0.2664
120
0.2142
2816
X-RAY DIFFRACTION
98
3.6-3.73
0.2426
95
0.1942
2870
X-RAY DIFFRACTION
99
3.73-3.88
0.2263
148
0.2079
2805
X-RAY DIFFRACTION
98
3.88-4.05
0.2093
161
0.1952
2755
X-RAY DIFFRACTION
98
4.05-4.27
0.1825
160
0.1862
2764
X-RAY DIFFRACTION
98
4.27-4.53
0.1295
143
0.1521
2854
X-RAY DIFFRACTION
99
4.54-4.88
0.1945
168
0.1587
2780
X-RAY DIFFRACTION
99
4.88-5.37
0.2905
138
0.1937
2831
X-RAY DIFFRACTION
99
5.37-6.14
0.2036
117
0.2143
2843
X-RAY DIFFRACTION
99
6.14-7.71
0.2613
235
0.2386
2754
X-RAY DIFFRACTION
99
7.72-29.73
0.127
115
0.1985
2813
X-RAY DIFFRACTION
98
Refinement TLS params.
Method: refined / Origin x: -8.6819 Å / Origin y: 87.8083 Å / Origin z: 53.5055 Å
11
12
13
21
22
23
31
32
33
T
0.1711 Å2
-0.0157 Å2
-0.0079 Å2
-
0.2014 Å2
0.0079 Å2
-
-
0.1917 Å2
L
0.0515 °2
-0.0708 °2
-0.0372 °2
-
0.229 °2
0.1177 °2
-
-
0.1061 °2
S
-0.0039 Å °
-0.0005 Å °
-0.0053 Å °
0.0042 Å °
0.0004 Å °
0.0123 Å °
0.0035 Å °
-0.0043 Å °
0.0055 Å °
Refinement TLS group
Selection details: all
+
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