Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.87 Å / Relative weight: 1
Reflection
Resolution: 1.5→35 Å / Num. obs: 55582 / % possible obs: 99 % / Observed criterion σ(I): 0 / Redundancy: 8 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 8.6
Reflection shell
Resolution: 1.5→1.54 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 1.6 / % possible all: 89
-
Processing
Software
Name
Version
Classification
REFMAC
5.5.0070
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.5→34.9 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.958 / SU B: 2.708 / SU ML: 0.045 / Cross valid method: THROUGHOUT / ESU R: 0.09 / ESU R Free: 0.071 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.U VALUES RESIDUAL ONLY THE C-TERMINUS IS DISORDERED, BUT OXT IS USED TO MODEL LAST ORDERED ATOM
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.187
2966
5.1 %
RANDOM
Rwork
0.157
-
-
-
obs
0.159
55582
98.8 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK