Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0332 Å / Relative weight: 1
Reflection
Resolution: 1.97→35 Å / Num. obs: 16076 / % possible obs: 99.9 % / Redundancy: 20.1 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 24.6
Reflection shell
Resolution: 1.97→2.02 Å / Rmerge(I) obs: 0.038
-
Processing
Software
Name
Version
Classification
XDS
datareduction
Aimless
datascaling
REFMAC
5.8.0049
refinement
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.97→35 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.961 / SU B: 3.409 / SU ML: 0.092 / Cross valid method: THROUGHOUT / ESU R: 0.12 / ESU R Free: 0.123 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.215
754
4.7 %
RANDOM
Rwork
0.173
-
-
-
obs
0.175
15322
99.9 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK