8OXS
Cholera holotoxin variant (chimera with E. coli heat-labile enterotoxin, 4 C-terminal substitutions)
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-15 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.87313 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.295, 89.610, 141.094 |
Unit cell angles | 90.00, 98.19, 90.00 |
Refinement procedure
Resolution | 48.900 - 1.600 |
Rwork | 0.193 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.445 |
Data reduction software | XDS (Jan 10, 2022 BUILT=20220110) |
Data scaling software | XDS (Jan 10, 2022 BUILT=20220110) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.900 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.180 | 1.000 |
Rmeas | 0.196 | 1.000 |
Rpim | 0.076 | 1.000 |
Number of reflections | 195625 | 9617 |
<I/σ(I)> | 6.6 | 0.6 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.7 | 6.1 |
CC(1/2) | 0.995 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | Crystallization mix: 20% w/v PEG 6K 0.1 M HEPES pH 7.0 0.2 M NH4Cl Protein storage buffer: 0.05 M Tris/HCl pH 7.5 0.2 M NaCl 0.05 M D-(+)-galactose |