Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97923 Å / Relative weight: 1
Reflection
Resolution: 2.7→50 Å / Num. obs: 70271 / % possible obs: 100 % / Redundancy: 14.8 % / Biso Wilson estimate: 37.03 Å2 / Rmerge(I) obs: 0.177 / Χ2: 1.042 / Net I/σ(I): 8.1 / Num. measured all: 1038277
Reflection shell
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Num. unique obs
Χ2
Diffraction-ID
% possible all
2.7-2.8
14.9
0.812
6909
0.996
1
100
2.8-2.91
14.9
0.604
6943
1.053
1
100
2.91-3.04
14.9
0.445
6935
1.099
1
100
3.04-3.2
14.9
0.344
6961
1.045
1
100
3.2-3.4
14.9
0.243
6960
1.059
1
100
3.4-3.66
14.9
0.182
7031
1.038
1
100
3.66-4.03
14.9
0.14
6996
1.004
1
100
4.03-4.62
14.8
0.112
7041
1.002
1
100
4.62-5.81
14.6
0.123
7114
1.065
1
100
5.81-50
14
0.082
7381
1.056
1
100
-
Processing
Software
Name
Version
Classification
PHENIX
1.19
refinement
HKL-2000
datascaling
PDB_EXTRACT
3.27
dataextraction
PHENIX
phasing
Coot
modelbuilding
Refinement
Method to determine structure: SAD / Resolution: 2.7→48.8 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 23.54 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2243
2010
2.86 %
Rwork
0.1763
68152
-
obs
0.1777
70162
99.79 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
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