Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9979 Å / Relative weight: 1
Reflection
Resolution: 1.35→50 Å / Num. obs: 20802 / % possible obs: 99.2 % / Redundancy: 12.4 % / CC1/2: 0.96 / Net I/σ(I): 2.19
Reflection shell
Resolution: 1.35→1.37 Å / CC1/2: 0.96
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0267
refinement
HKL-3000
datareduction
HKL-3000
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.35→35.324 Å / Cor.coef. Fo:Fc: 0.96 / Cor.coef. Fo:Fc free: 0.965 / SU B: 0.006 / SU ML: 0 / Cross valid method: THROUGHOUT / ESU R: 0.063 / ESU R Free: 0.064 Details: Hydrogens have been added in their riding positions
Rfactor
Num. reflection
% reflection
Rfree
0.2161
1113
5.35 %
Rwork
0.2124
19689
-
all
0.213
-
-
obs
-
20802
99.218 %
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: 21.784 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.188 Å2
-0 Å2
-0.506 Å2
2-
-
-0.232 Å2
-0 Å2
3-
-
-
0.463 Å2
Refinement step
Cycle: LAST / Resolution: 1.35→35.324 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
786
0
0
125
911
LS refinement shell
Resolution (Å)
Rfactor Rfree
Num. reflection Rfree
Rfactor Rwork
Num. reflection Rwork
Refine-ID
% reflection obs (%)
1.35-1.385
0.4
83
0.433
1416
X-RAY DIFFRACTION
96.0282
1.385-1.423
0.412
93
0.384
1389
X-RAY DIFFRACTION
99.5299
1.423-1.464
0.38
79
0.332
1356
X-RAY DIFFRACTION
99.308
1.464-1.509
0.284
78
0.268
1329
X-RAY DIFFRACTION
99.3644
1.509-1.559
0.341
65
0.257
1302
X-RAY DIFFRACTION
99.7082
1.559-1.613
0.257
62
0.237
1267
X-RAY DIFFRACTION
99.4016
1.613-1.674
0.26
84
0.227
1214
X-RAY DIFFRACTION
99.6163
1.674-1.742
0.25
68
0.222
1146
X-RAY DIFFRACTION
99.5082
1.742-1.819
0.288
46
0.234
1131
X-RAY DIFFRACTION
99.4928
1.819-1.908
0.237
43
0.219
1096
X-RAY DIFFRACTION
99.3025
1.908-2.011
0.248
50
0.216
1027
X-RAY DIFFRACTION
99.5379
2.011-2.132
0.253
50
0.218
952
X-RAY DIFFRACTION
99.3062
2.132-2.279
0.217
79
0.2
885
X-RAY DIFFRACTION
99.6898
2.279-2.461
0.222
40
0.208
860
X-RAY DIFFRACTION
99.5575
2.461-2.694
0.241
33
0.205
791
X-RAY DIFFRACTION
99.6372
2.694-3.01
0.172
36
0.195
722
X-RAY DIFFRACTION
99.6058
3.01-3.472
0.181
43
0.172
620
X-RAY DIFFRACTION
99.5496
3.472-4.243
0.145
46
0.153
514
X-RAY DIFFRACTION
100
4.243-5.959
0.157
21
0.184
435
X-RAY DIFFRACTION
99.7812
5.959-35.324
0.241
14
0.259
237
X-RAY DIFFRACTION
96.5385
+
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