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: 1.6→50 Å / Num. obs: 101625 / % possible obs: 100 % / Redundancy: 4.2 % / Net I/σ(I): 20.5
-
Processing
Software
Name
Version
Classification
REFMAC
5.7.0029
refinement
HKL-2000
datascaling
PHENIX
modelbuilding
ARP
modelbuilding
Coot
modelbuilding
PHENIX
phasing
Refinement
Resolution: 1.6→25 Å / Cor.coef. Fo:Fc: 0.951 / Cor.coef. Fo:Fc free: 0.935 / SU B: 1.665 / SU ML: 0.059 / Cross valid method: THROUGHOUT / ESU R: 0.097 / ESU R Free: 0.093 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.21838
4997
5 %
RANDOM
Rwork
0.19501
-
-
-
obs
0.19619
95148
98.52 %
-
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