Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 2, 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: 1.9→50 Å / Num. obs: 61321 / % possible obs: 99.5 % / Redundancy: 4.1 % / Net I/σ(I): 18.2
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Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datareduction
HKL-2000
datascaling
PHENIX
modelbuilding
PHENIX
phasing
Coot
modelbuilding
ARP
modelbuilding
Refinement
Resolution: 1.9→25 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.926 / SU B: 3.295 / SU ML: 0.098 / Cross valid method: THROUGHOUT / ESU R: 0.168 / ESU R Free: 0.15 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.23113
2958
5 %
RANDOM
Rwork
0.19337
-
-
-
obs
0.1952
55801
96.89 %
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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