10ZI
Crystal structure of MrtR bound to 3O-C8 homoserine lactone and tetraethylene glycol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-07-24 |
| Detector | DECTRIS PILATUS4 X 4M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.434, 35.728, 61.941 |
| Unit cell angles | 90.00, 112.13, 90.00 |
Refinement procedure
| Resolution | 58.560 - 1.220 |
| R-factor | 0.15726 |
| Rwork | 0.155 |
| R-free | 0.19345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.630 |
| 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] | 58.560 | 1.243 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Number of reflections | 70635 | 3460 |
| <I/σ(I)> | 11.5 | 0.5 |
| Completeness [%] | 92.6 | 90.5 |
| Redundancy | 6.4 | 4.5 |
| CC(1/2) | 0.999 | 0.681 |
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-oxoctanoyl-L-homoserine lactone, DMSO |
