Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97903 Å / Relative weight: 1
Reflection
Resolution: 2.15→38.63 Å / Num. obs: 105278 / % possible obs: 97.1 % / Observed criterion σ(I): 2 / Redundancy: 4.8 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 10.4
Reflection shell
Resolution: 2.15→2.27 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 3.5 / % possible all: 93
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Processing
Software
Name
Version
Classification
REFMAC
5.5.0102
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.15→38.25 Å / Cor.coef. Fo:Fc: 0.913 / Cor.coef. Fo:Fc free: 0.862 / SU B: 6.74 / SU ML: 0.177 / Cross valid method: THROUGHOUT / ESU R: 0.338 / ESU R Free: 0.256 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.29282
5261
5 %
RANDOM
Rwork
0.23706
-
-
-
obs
0.23979
99993
96.97 %
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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