Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97931 Å / Relative weight: 1
Reflection
Resolution: 1.07→18.74 Å / Num. obs: 61826 / % possible obs: 91.1 % / Redundancy: 3.5 % / Rmerge(I) obs: 0.068 / Net I/σ(I): 7.9
Reflection shell
Resolution: 1.07→1.13 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.607 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 5622 / % possible all: 91.1
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.07→18.74 Å / Cor.coef. Fo:Fc: 0.971 / Cor.coef. Fo:Fc free: 0.966 / SU B: 1.42 / SU ML: 0.029 / Cross valid method: THROUGHOUT / ESU R: 0.035 / ESU R Free: 0.035 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.18291
3236
5 %
RANDOM
Rwork
0.16099
-
-
-
obs
0.16214
61502
91.02 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK