Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.5418 Å / Relative weight: 1
Reflection
Resolution: 1.45→20 Å / Num. obs: 33822 / % possible obs: 94.2 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 12.2
Reflection shell
Resolution: 1.45→1.5 Å / Redundancy: 3 % / Rmerge(I) obs: 0.46 / Mean I/σ(I) obs: 2.3 / % possible all: 86.4
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Processing
Software
Name
Version
Classification
REFMAC
5.2.0005
refinement
DENZO
datareduction
SCALEPACK
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.45→20 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.946 / SU B: 2.447 / SU ML: 0.044 / Cross valid method: THROUGHOUT / ESU R: 0.077 / ESU R Free: 0.073 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 1-25 ARE DISORDERED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.219
508
1.5 %
RANDOM
Rwork
0.168
-
-
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obs
0.169
32695
94.7 %
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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