Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Feb 19, 2014
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.7→50 Å / Num. obs: 8190 / % possible obs: 97.2 % / Redundancy: 6.8 % / Net I/σ(I): 28.9
Reflection shell
Resolution: 1.7→1.73 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.11 / Mean I/σ(I) obs: 7.52 / % possible all: 92.4
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
HKL-3000
datareduction
HKL-3000
datascaling
PHASER
phasing
Refinement
Resolution: 1.7→31.49 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.94 / SU B: 2.269 / SU ML: 0.072 / Cross valid method: THROUGHOUT / ESU R: 0.112 / ESU R Free: 0.108 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23255
369
4.6 %
RANDOM
Rwork
0.20508
-
-
-
obs
0.20634
7707
96.76 %
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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