29AI
Crystal structure of EcLpxC complexed with compound 7a
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 91.661, 146.742, 99.714 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.250 - 2.618 |
| R-factor | 0.2462 |
| Rwork | 0.245 |
| R-free | 0.26970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.580 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (22-FEB-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.480 | 2.930 |
| High resolution limit [Å] | 2.618 | 2.620 |
| Rmeas | 1.980 | |
| Number of reflections | 27030 | 1351 |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 92.3 | 51.4 |
| Redundancy | 6.4 | |
| CC(1/2) | 0.813 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Phosphate/citrate pH 4.2, 0.2 M Li2SO4 and 20% w/v PEG1000 |
