5LZH
Cholera toxin classical B-pentamer in complex with inhibitor PC262
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.991872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.736, 66.063, 76.389 |
Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
Resolution | 73.550 - 1.130 |
R-factor | 0.19895 |
Rwork | 0.197 |
R-free | 0.22862 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3chb |
RMSD bond length | 0.027 |
RMSD bond angle | 2.501 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.190 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.073 | |
Number of reflections | 135800 | |
<I/σ(I)> | 6.87 | 0.73 |
Completeness [%] | 73.7 | 13.9 |
Redundancy | 2.8 | 1.7 |
CC(1/2) | 0.997 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES/Imidazole pH 6.5, 8% PEG1000, 8% PEG 3350, 8% MPD, 0.03 M divalent cations |