Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.8 Å / Relative weight: 1
Reflection
Resolution: 2.51→29.87 Å / Num. obs: 35075 / % possible obs: 98.12 % / Redundancy: 4.47 % / Rmerge(I) obs: 0.065 / Net I/σ(I): 10.4375
Reflection shell
Resolution: 2.51→2.65 Å / Rmerge(I) obs: 0.17
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
iMOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.51→29.86 Å / Cor.coef. Fo:Fc: 0.955 / Cor.coef. Fo:Fc free: 0.926 / SU B: 13.928 / SU ML: 0.138 / Cross valid method: THROUGHOUT / ESU R Free: 0.211 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.20047
1762
5 %
RANDOM
Rwork
0.15467
-
-
-
obs
0.15701
33258
97.89 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å