Method to determine structure: SAD / Resolution: 0.93→21.1 Å / SU ML: 0.11 / Cross valid method: THROUGHOUT / σ(F): 1.41 / Phase error: 22.27 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2134
2778
9.99 %
Rwork
0.1923
-
-
obs
0.1944
27813
97.73 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement step
Cycle: LAST / Resolution: 0.93→21.1 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
0
171
0
51
222
Refine LS restraints
Refine-ID
Type
Dev ideal
Number
X-RAY DIFFRACTION
f_bond_d
0.008
191
X-RAY DIFFRACTION
f_angle_d
2.399
296
X-RAY DIFFRACTION
f_dihedral_angle_d
23.321
85
X-RAY DIFFRACTION
f_chiral_restr
0.088
31
X-RAY DIFFRACTION
f_plane_restr
0.017
10
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
0.93-0.95
0.2761
87
0.3031
794
X-RAY DIFFRACTION
62
0.95-0.96
0.3228
138
0.2928
1241
X-RAY DIFFRACTION
95
0.96-0.98
0.2963
135
0.2793
1272
X-RAY DIFFRACTION
99
0.98-1
0.2956
144
0.2508
1263
X-RAY DIFFRACTION
100
1-1.03
0.246
144
0.2422
1272
X-RAY DIFFRACTION
100
1.03-1.05
0.3015
138
0.2468
1293
X-RAY DIFFRACTION
100
1.05-1.08
0.2676
142
0.2342
1278
X-RAY DIFFRACTION
100
1.08-1.1
0.2418
143
0.2303
1275
X-RAY DIFFRACTION
100
1.1-1.14
0.2669
141
0.2141
1299
X-RAY DIFFRACTION
100
1.14-1.17
0.2211
145
0.2084
1265
X-RAY DIFFRACTION
100
1.17-1.22
0.2337
140
0.2044
1290
X-RAY DIFFRACTION
100
1.22-1.26
0.197
137
0.1945
1274
X-RAY DIFFRACTION
100
1.26-1.32
0.1972
148
0.1988
1287
X-RAY DIFFRACTION
100
1.32-1.39
0.2211
142
0.2036
1262
X-RAY DIFFRACTION
100
1.39-1.48
0.2298
143
0.1981
1285
X-RAY DIFFRACTION
100
1.48-1.59
0.2032
140
0.1851
1283
X-RAY DIFFRACTION
100
1.59-1.75
0.18
146
0.1556
1291
X-RAY DIFFRACTION
100
1.75-2.01
0.1896
144
0.1712
1275
X-RAY DIFFRACTION
100
2.01-2.53
0.2162
136
0.1814
1276
X-RAY DIFFRACTION
100
2.53-10
0.1995
145
0.1846
1260
X-RAY DIFFRACTION
98
Refinement TLS params.
Method: refined / Origin x: 32.3033 Å / Origin y: 8.7428 Å / Origin z: 3.6578 Å
11
12
13
21
22
23
31
32
33
T
0.0966 Å2
0.0064 Å2
0.001 Å2
-
0.0867 Å2
-0.0018 Å2
-
-
0.076 Å2
L
1.3772 °2
0.8143 °2
0.2878 °2
-
2.3202 °2
-0.0906 °2
-
-
0.6077 °2
S
-0.0083 Å °
0.1349 Å °
0.031 Å °
-0.1852 Å °
0.0768 Å °
0.0455 Å °
0.0354 Å °
0.0713 Å °
-0.056 Å °
Refinement TLS group
Selection details: chain 'A' and (resid 1 through 8 )
+
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