6RIM
Crystal structure of the catalytic domain of the Weissela oryzae botulinum like toxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.908, 105.208, 179.621 |
| Unit cell angles | 101.71, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.630 - 1.600 |
| R-factor | 0.15328 |
| Rwork | 0.151 |
| R-free | 0.20169 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.378 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.630 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.090 | |
| Rmeas | 0.110 | |
| Rpim | 0.060 | |
| Number of reflections | 531729 | 25808 |
| <I/σ(I)> | 6.74 | |
| Completeness [%] | 97.1 | 95.2 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.990 | 0.472 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 0.1 M MES pH 6.0, 0.2 M CaCl2 20 % w/v PEG 6000 |
