Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 8, 2013
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.972 Å / Relative weight: 1
Reflection
Resolution: 2.06→63.26 Å / Num. obs: 60326 / % possible obs: 95.7 % / Redundancy: 3 % / Rsym value: 0.037 / Net I/σ(I): 13.5
Reflection shell
Resolution: 2.06→2.11 Å / Rsym value: 0.364
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0238
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: individual A and B chains Resolution: 2.06→28.42 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.93 / SU B: 6.526 / SU ML: 0.164 / Cross valid method: THROUGHOUT / ESU R: 0.218 / ESU R Free: 0.201 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25496
2967
5.1 %
RANDOM
Rwork
0.18665
-
-
-
obs
0.19009
55407
95.73 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å