Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 23, 2014
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.978 Å / Relative weight: 1
Reflection
Resolution: 1.85→50 Å / Num. obs: 66196 / % possible obs: 100 % / Redundancy: 4.7 % / Net I/σ(I): 14.5
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
phasing
ARP
modelbuilding
Coot
modelbuilding
PHENIX
modelbuilding
Refinement
Resolution: 1.85→25 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.936 / SU B: 2.913 / SU ML: 0.089 / Cross valid method: THROUGHOUT / ESU R: 0.149 / ESU R Free: 0.134 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2241
3287
5.1 %
RANDOM
Rwork
0.19281
-
-
-
obs
0.19437
61413
99.08 %
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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: BABINET MODEL WITH MASK