Method to determine structure: SAD / Resolution: 2.26→42.07 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.927 / SU B: 1.1588 / SU ML: 0 / Cross valid method: NONE / ESU R: 0.202 / ESU R Free: 0.245 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2683
691
5.059 %
Rwork
0.2208
12969
-
all
0.223
-
-
obs
-
13660
99.978 %
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT
Displacement parameters
Biso mean: 65.082 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.044 Å2
0.022 Å2
0 Å2
2-
-
0.044 Å2
-0 Å2
3-
-
-
-0.143 Å2
Refinement step
Cycle: LAST / Resolution: 2.26→42.07 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2006
0
0
36
2042
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
2.26-2.319
0.22
54
0.2
951
X-RAY DIFFRACTION
99.8014
2.319-2.382
0.255
43
0.238
914
X-RAY DIFFRACTION
100
2.382-2.451
0.303
53
0.239
897
X-RAY DIFFRACTION
100
2.451-2.527
0.339
53
0.234
869
X-RAY DIFFRACTION
100
2.527-2.609
0.299
48
0.241
828
X-RAY DIFFRACTION
100
2.609-2.701
0.374
52
0.242
837
X-RAY DIFFRACTION
100
2.701-2.803
0.25
26
0.226
781
X-RAY DIFFRACTION
100
2.803-2.917
0.343
39
0.254
772
X-RAY DIFFRACTION
100
2.917-3.046
0.374
17
0.244
757
X-RAY DIFFRACTION
100
3.046-3.195
0.314
28
0.259
696
X-RAY DIFFRACTION
100
3.195-3.367
0.175
29
0.1
675
X-RAY DIFFRACTION
100
3.367-3.571
0.341
41
0.224
631
X-RAY DIFFRACTION
100
3.571-3.817
0.325
24
0.228
605
X-RAY DIFFRACTION
100
3.817-4.121
0.262
37
0.218
558
X-RAY DIFFRACTION
100
4.121-4.513
0.163
30
0.1
503
X-RAY DIFFRACTION
100
4.513-5.043
0.246
36
0.181
468
X-RAY DIFFRACTION
100
5.043-5.818
0.234
26
0.231
415
X-RAY DIFFRACTION
100
5.818-7.113
0.311
29
0.258
354
X-RAY DIFFRACTION
100
7.1-10
0.252
7
0.193
174
X-RAY DIFFRACTION
99.4505
7.113-10
0.257
19
0.147
284
X-RAY DIFFRACTION
100
+
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