SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 11-STRANDED BARREL THIS IS REPRESENTED BY A 12-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.8906 Å / Relative weight: 1
Reflection
Resolution: 0.882→74.536 Å / Num. obs: 457407 / % possible obs: 99.2 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.048 / Net I/σ(I): 24.4
Reflection shell
Resolution: 0.88→0.89 Å / Redundancy: 3 % / Rmerge(I) obs: 0.275 / Mean I/σ(I) obs: 3.44 / % possible all: 88.8
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Processing
Software
Name
Version
Classification
REFMAC
5.1.11
refinement
DENZO
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: OTHER / Resolution: 0.88→74.54 Å / Cor.coef. Fo:Fc: 0.989 / Cor.coef. Fo:Fc free: 0.988 / SU B: 0.067 / SU ML: 0.004 / Cross valid method: THROUGHOUT / ESU R: 0.009 / ESU R Free: 0.009 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.096
22913
5 %
RANDOM
Rwork
0.089
-
-
-
obs
0.089
433749
99.2 %
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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