9ZPJ
Crystal structure of MrtR bound to 3OH-C8 homoserine lactone
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM07 |
| Synchrotron site | ESRF |
| Beamline | BM07 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | .980114 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.315, 35.552, 61.649 |
| Unit cell angles | 90.00, 111.66, 90.00 |
Refinement procedure
| Resolution | 51.000 - 1.176 |
| Rwork | 0.146 |
| R-free | 0.17310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.659 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.000 | 1.197 |
| High resolution limit [Å] | 1.176 | 1.176 |
| Rmerge | 0.040 | |
| Number of reflections | 77750 | 4011 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 92.4 | 96.4 |
| Redundancy | 6.5 | 6.3 |
| CC(1/2) | 0.999 | 0.385 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | imidazole, MES, diethylene glycol, triethylene glycol, tetraethylene glycol, pentaethylene glycol, 2-Methyl-2,4-pentanediol (MPD), PEG 1000, PEG 3350, N-3-hydroxyoctanoyl-L-Homoserine lactone, DMSO. 2:1 protein:buffer |
