Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.5
Jul 24, 2019
Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Remark 700
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: 1.54 Å / Relative weight: 1
Reflection
Resolution: 1.744→74.536 Å / Num. obs: 457407 / % possible obs: 87.2 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.048 / Net I/σ(I): 24.4
Reflection
*PLUS
Highest resolution: 1.75 Å / Lowest resolution: 37 Å / Num. obs: 54476 / % possible obs: 87.7 % / Redundancy: 5.7 % / Rmerge(I) obs: 0.073
Reflection shell
*PLUS
Highest resolution: 1.75 Å / Lowest resolution: 1.8 Å / % possible obs: 43.7 % / Rmerge(I) obs: 0.095 / Mean I/σ(I) obs: 4
-
Processing
Software
Name
Version
Classification
REFMAC
5.1.11
refinement
DENZO
datareduction
SCALEPACK
datascaling
Refinement
Method to determine structure: OTHER / Resolution: 1.74→74.54 Å / Cor.coef. Fo:Fc: 0.98 / Cor.coef. Fo:Fc free: 0.971 / SU B: 1.497 / SU ML: 0.045 / Cross valid method: THROUGHOUT / ESU R: 0.078 / ESU R Free: 0.077 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.138
2758
5 %
RANDOM
Rwork
0.111
-
-
-
obs
-
52087
87.2 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL PLUS MASK