5LZJ
Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97239 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.245, 66.476, 82.401 |
Unit cell angles | 90.00, 116.96, 90.00 |
Refinement procedure
Resolution | 73.450 - 1.200 |
R-factor | 0.19671 |
Rwork | 0.195 |
R-free | 0.22817 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3chb |
RMSD bond length | 0.021 |
RMSD bond angle | 2.154 |
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] | 45.600 | 1.270 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.096 | |
Number of reflections | 144269 | |
<I/σ(I)> | 5.55 | |
Completeness [%] | 93.8 | 72.4 |
Redundancy | 2.9 | 2.3 |
CC(1/2) | 0.994 | 0.337 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES pH 6, 30% PEG 400, 3% PGA-LM |