Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97931 Å / Relative weight: 1
Reflection
Resolution: 1.19→20.23 Å / Num. obs: 55431 / % possible obs: 94.3 % / Redundancy: 5.8 % / CC1/2: 0.997 / Net I/σ(I): 9
Reflection shell
Resolution: 1.19→1.25 Å / Redundancy: 5.3 % / Num. unique obs: 6419 / CC1/2: 0.672 / % possible all: 84
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.19→20.23 Å / Cor.coef. Fo:Fc: 0.976 / Cor.coef. Fo:Fc free: 0.967 / SU B: 1.529 / SU ML: 0.03 / Cross valid method: THROUGHOUT / ESU R: 0.038 / ESU R Free: 0.039 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.17477
2661
5.1 %
RANDOM
Rwork
0.14084
-
-
-
obs
0.14253
49773
94.32 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK