Type: MAR CCD 165 mm / Detector: CCD / Date: Apr 7, 2007
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97969 Å / Relative weight: 1
Reflection
Resolution: 1.82→26.5 Å / Num. obs: 91193 / % possible obs: 97.3 % / Redundancy: 3.1 % / Net I/σ(I): 7.4
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0069
refinement
MOSFLM
datareduction
SCALA
datascaling
REFMAC
phasing
Refinement
Resolution: 1.96→26.5 Å / Cor.coef. Fo:Fc: 0.896 / Cor.coef. Fo:Fc free: 0.889 / SU B: 4.473 / SU ML: 0.124 / Cross valid method: THROUGHOUT / ESU R: 0.182 / ESU R Free: 0.162 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25761
3633
5 %
RANDOM
Rwork
0.22677
-
-
-
obs
0.22832
68564
96.72 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK