Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9686 Å / Relative weight: 1
Reflection
Resolution: 1.91→54 Å / Num. obs: 97820 / % possible obs: 99.7 % / Redundancy: 4.4 % / Rmerge(I) obs: 0.036 / Net I/σ(I): 29.6
Reflection shell
Highest resolution: 1.91 Å / Rmerge(I) obs: 0.54 / Mean I/σ(I) obs: 2.2 / % possible all: 99.9
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Processing
Software
Name
Version
Classification
REFMAC
5.6.0117
refinement
xia2
datareduction
xia2
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.91→53.92 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.939 / SU B: 2.879 / SU ML: 0.086 / Cross valid method: THROUGHOUT / ESU R: 0.129 / ESU R Free: 0.123 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2466
4892
5 %
RANDOM
Rwork
0.22213
-
-
-
obs
0.22337
92926
99.54 %
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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