Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.92 Å / Relative weight: 1
Reflection
Resolution: 2.98→63.2 Å / Num. obs: 10089 / % possible obs: 99.9 % / Observed criterion σ(I): 3.9 / Redundancy: 12.7 % / Rmerge(I) obs: 0.19 / Net I/σ(I): 12.9
Reflection shell
Resolution: 2.98→3.06 Å / Redundancy: 13.2 % / Rmerge(I) obs: 1.02 / Mean I/σ(I) obs: 3.9 / % possible all: 99.7
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0049
refinement
xia2
datareduction
xia2
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.98→63.2 Å / Cor.coef. Fo:Fc: 0.924 / Cor.coef. Fo:Fc free: 0.866 / SU B: 19.458 / SU ML: 0.365 / Cross valid method: THROUGHOUT / ESU R Free: 0.506 / 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
0.29498
485
4.8 %
RANDOM
Rwork
0.21378
-
-
-
obs
0.21766
9565
99.89 %
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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