Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 4, 2017
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.7→30 Å / Num. obs: 157322 / % possible obs: 91 % / Redundancy: 2.2 % / Rmerge(I) obs: 0.051 / Net I/σ(I): 10
Reflection shell
Resolution: 2.7→2.8 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.573 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 16383 / % possible all: 91.6
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0158
refinement
XDS
datareduction
XSCALE
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→30 Å / Cor.coef. Fo:Fc: 0.944 / Cor.coef. Fo:Fc free: 0.923 / SU B: 40.286 / SU ML: 0.348 / Cross valid method: THROUGHOUT / ESU R Free: 0.393 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25827
7862
5 %
RANDOM
Rwork
0.22438
-
-
-
obs
0.23116
149373
91.05 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK