Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.97931 Å / Relative weight: 1
Reflection
Resolution: 2.01→35 Å / Num. obs: 18167 / % possible obs: 99.3 % / Redundancy: 7.3 % / CC1/2: 0.997 / Net I/σ(I): 14.1
Reflection shell
Resolution: 2.01→2.12 Å / Redundancy: 7.5 % / Num. unique obs: 2580 / CC1/2: 0.929 / % possible all: 98.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0135
refinement
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.01→30 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.905 / SU B: 5.451 / SU ML: 0.148 / Cross valid method: THROUGHOUT / ESU R: 0.22 / ESU R Free: 0.187 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25973
869
4.8 %
RANDOM
Rwork
0.21689
-
-
-
obs
0.21898
17292
99.01 %
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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