9GY5
Crystal structure of the catalytic domain from the BoNT-like toxin complex PG1 of Paeniclostridium ghonii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-27 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 79.217, 79.217, 274.532 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.952 - 1.800 |
| Rwork | 0.222 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.109 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.370 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.156 | |
| Rmeas | 0.160 | 12.300 |
| Rpim | 0.035 | 2.720 |
| Number of reflections | 48514 | 2788 |
| <I/σ(I)> | 14.9 | 0.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 37.9 | 39 |
| CC(1/2) | 1.000 | 0.492 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.1 M HEPES pH 7.0 5% v/v Tacsimate TM pH 7.0 10% w/v Polyethylene glycol monomethyl ether 5,000 |
