Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.2 Å / Relative weight: 1
Reflection
Resolution: 2.1→47.33 Å / Num. obs: 12356 / % possible obs: 100 % / Observed criterion σ(I): 2 / Redundancy: 45 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 32.3
Reflection shell
Resolution: 2.1→2.15 Å / Redundancy: 46.8 % / Rmerge(I) obs: 1.17 / Mean I/σ(I) obs: 4.6 / % possible all: 99.9
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Processing
Software
Name
Version
Classification
REFMAC
5.8.0073
refinement
AutoSol
wizardin
phasing
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 2.1→47.33 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.947 / SU B: 8.299 / SU ML: 0.108 / Cross valid method: THROUGHOUT / ESU R: 0.161 / ESU R Free: 0.147 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES. ASPARAGINE 200 IS DISORDERED
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22904
691
5.3 %
RANDOM
Rwork
0.20201
-
-
-
obs
0.20354
12356
99.98 %
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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