Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Oct 11, 2012
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.82→12.4 Å / Num. obs: 10724 / % possible obs: 99.5 % / Redundancy: 4.3 % / Rmerge(I) obs: 0.069 / Net I/σ(I): 10.5
Reflection shell
Resolution: 1.82→1.92 Å / Rmerge(I) obs: 0.176 / Mean I/σ(I) obs: 2.3 / Num. unique all: 1515 / % possible all: 98.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0071
refinement
SCALA
3.3.21
datascaling
PHASER
2.5.6
phasing
iMOSFLM
datareduction
Refinement
Resolution: 1.82→12.4 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.937 / SU B: 4.777 / SU ML: 0.084 / Cross valid method: THROUGHOUT / ESU R: 0.161 / ESU R Free: 0.129 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18747
1033
9.7 %
RANDOM
Rwork
0.15881
-
-
-
obs
0.16168
9658
99.33 %
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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