8GF1
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with LV8060 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-03 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9201 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 177.498, 177.498, 177.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.580 - 1.920 |
| R-factor | 0.1803 |
| Rwork | 0.179 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.738 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.580 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.079 | 0.761 |
| Number of reflections | 70238 | 5097 |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 99.8 | 97.9 |
| Redundancy | 20.8 | 20.1 |
| CC(1/2) | 0.999 | 0.918 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | 0.1 M sodium citrate pH 5.9 and 26% (v/v) PEG 600. Protein buffer was 10 mM HEPES pH 8.0, 200 mM ammonium acetate |
