Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 1.65→44.57 Å / Num. obs: 239055
Reflection shell
Highest resolution: 1.65 Å
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Processing
Software
Name
Version
Classification
NB
REFMAC
5.6.0117
refinement
PDB_EXTRACT
3.11
dataextraction
DENZO
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: SAD / Resolution: 1.65→44.57 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.944 / Occupancy max: 1 / Occupancy min: 0 / Cross valid method: THROUGHOUT / ESU R: 0.106 / ESU R Free: 0.1 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21126
11941
5 %
RANDOM
Rwork
0.18501
-
-
-
obs
0.18635
226522
99.24 %
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all
-
239055
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK