8OW8
Crystal Structure of the Catalytic Domain of a Botulinum Neurotoxin Homologue from Enterococcus faecium
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 | 2022-09-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 143.894, 143.894, 51.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.434 - 2.000 |
| Rwork | 0.188 |
| R-free | 0.22370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.910 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 143.890 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.129 | 3.807 |
| Rmeas | 0.134 | 3.952 |
| Rpim | 0.036 | 1.060 |
| Number of reflections | 37319 | 2683 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 26.3 | 26.6 |
| CC(1/2) | 1.000 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289.15 | 0.1 M SPG (succinic acid, sodium phosphate monobasic monohydrate, and glycine) buffer pH 7.0, 25% w/v PEG 1500 |
