Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9537 Å / Relative weight: 1
Reflection
Resolution: 1.97→48.8 Å / Num. obs: 54442 / % possible obs: 99.87 % / Redundancy: 6.8 % / CC1/2: 0.9993 / Net I/σ(I): 8.4
Reflection shell
Resolution: 1.97→2 Å / Redundancy: 7.1 % / Mean I/σ(I) obs: 0.7 / Num. unique obs: 2700 / CC1/2: 0.329 / % possible all: 99.93
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0419
refinement
xia2
datareduction
xia2
datascaling
PHENIX
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→48.8 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.911 / SU B: 20.487 / SU ML: 0.236 / Cross valid method: THROUGHOUT / ESU R: 0.424 / ESU R Free: 0.28 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.29742
1998
5.1 %
RANDOM
Rwork
0.24279
-
-
-
obs
0.24544
37274
99.8 %
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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