Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.2822 Å / Relative weight: 1
Reflection
Resolution: 2.5→56.31 Å / Num. obs: 5133 / % possible obs: 98.9 % / Observed criterion σ(I): 0 / Redundancy: 6.81 % / Rmerge(I) obs: 0.11 / Net I/σ(I): 5.59
Reflection shell
Resolution: 2.8→2.95 Å / Redundancy: 7.12 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 1.47 / % possible all: 98.4
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0104
refinement
MOSFLM
datareduction
SCALA
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.8→33.08 Å / Cor.coef. Fo:Fc: 0.934 / Cor.coef. Fo:Fc free: 0.908 / SU B: 20.058 / SU ML: 0.227 / Cross valid method: THROUGHOUT / ESU R Free: 0.34 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.238
232
4.5 %
RANDOM
Rwork
0.192
-
-
-
obs
0.194
4899
98.3 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK