Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9 Å / Relative weight: 1
Reflection
Resolution: 2.2→50 Å / Num. obs: 17383 / % possible obs: 95.1 % / Rsym value: 0.05 / Net I/σ(I): 23
Reflection shell
Resolution: 2.2→2.28 Å / Mean I/σ(I) obs: 2.8 / Rsym value: 0.294 / % possible all: 90.3
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Processing
Software
Name
Version
Classification
BSS
datacollection
PHASER
phasing
REFMAC
5.6.0117
refinement
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→40 Å / Cor.coef. Fo:Fc: 0.952 / Cor.coef. Fo:Fc free: 0.909 / SU B: 14.334 / SU ML: 0.173 / Cross valid method: THROUGHOUT / ESU R: 0.296 / ESU R Free: 0.242 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27103
881
5.1 %
RANDOM
Rwork
0.20588
-
-
-
obs
0.20927
16290
95.12 %
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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: MASK