Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9791 Å / Relative weight: 1
Reflection
Resolution: 1.5→40 Å / Num. obs: 73917 / % possible obs: 97.8 % / Redundancy: 6 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 20.8
Reflection shell
Resolution: 1.5→1.55 Å / Redundancy: 3.13 % / Rmerge(I) obs: 0.267 / Mean I/σ(I) obs: 3.57 / % possible all: 81.7
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Processing
Software
Name
Version
Classification
REFMAC
5.1.24
refinement
DENZO
datareduction
SCALEPACK
datascaling
MLPHARE
phasing
Refinement
Method to determine structure: OTHER / Resolution: 1.5→19.88 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.964 / SU B: 0.825 / SU ML: 0.031 / Cross valid method: THROUGHOUT / ESU R: 0.066 / ESU R Free: 0.057 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS DISORDERED REGIONS WERE NOT BUILT: THE N- TERMIANL EXTREMITY (RESIDUS 1 - 20) AND THE C-TERMINAL EXTREMITY (RESIDUS 432 - 440)
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.152
3726
5 %
RANDOM
Rwork
0.121
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-
-
obs
0.123
70083
97.8 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK