9ZZ0
Crystal structure of MrtR bound to 3OH-C14 homoserine lactone
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | .979338 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.039, 120.926, 122.537 |
| Unit cell angles | 90.00, 98.81, 90.00 |
Refinement procedure
| Resolution | 34.400 - 3.360 |
| R-factor | 0.25562 |
| Rwork | 0.253 |
| R-free | 0.30845 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.721 |
| 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] | 34.400 | 3.419 |
| High resolution limit [Å] | 3.360 | 3.360 |
| Number of reflections | 12733 | 519 |
| <I/σ(I)> | 4.2 | 1.4 |
| Completeness [%] | 92.2 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.930 | 0.324 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 50 mM imidazole, 50 mM MES, 30 mM MgCl2, 30 percent ethylene glycol, 5 percent PEG 8000, N-(3-hydroxy-tetradecanoyl)-L-homoserine lactone |
