Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 1.27→50 Å / Num. obs: 370867 / % possible obs: 92.5 % / Redundancy: 2.9 % / Net I/σ(I): 20.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
DENZO
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Resolution: 1.27→20 Å / Cor.coef. Fo:Fc: 0.981 / Cor.coef. Fo:Fc free: 0.968 / SU B: 2.003 / SU ML: 0.036 / Cross valid method: THROUGHOUT / ESU R: 0.044 / ESU R Free: 0.047 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17543
18716
5 %
RANDOM
Rwork
0.13026
-
-
-
obs
0.13251
352051
92.41 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK