Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 2.7→50.01 Å / Num. obs: 9040 / % possible obs: 98.1 % / Redundancy: 3.9 % / Biso Wilson estimate: 19.6 Å2 / Rmerge(I) obs: 0.106 / Net I/σ(I): 10.3
Reflection shell
Resolution: 2.7→2.85 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.45 / Mean I/σ(I) obs: 4.2 / Num. unique obs: 486 / % possible all: 97.8
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0103
refinement
iMOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.7→50.01 Å / Cor.coef. Fo:Fc: 0.902 / Cor.coef. Fo:Fc free: 0.816 / SU B: 16.289 / SU ML: 0.341 / Cross valid method: THROUGHOUT / ESU R Free: 0.435 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28804
891
10 %
RANDOM
Rwork
0.21953
-
-
-
obs
0.22647
8008
97.4 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å