6I48
Structure of P. aeruginosa LpxC with compound 12: (2R)-4-(6-(2-Fluoro-4-methoxyphenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.583, 67.018, 63.080 |
| Unit cell angles | 90.00, 90.76, 90.00 |
Refinement procedure
| Resolution | 45.931 - 2.196 |
| Rwork | 0.216 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ves |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.812 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238 2018/15/10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.931 | 2.330 |
| High resolution limit [Å] | 2.196 | 2.200 |
| Rmerge | 0.165 | |
| Number of reflections | 28187 | |
| <I/σ(I)> | 3.9 | 0.5 |
| Completeness [%] | 94.8 | 90.7 |
| Redundancy | 1.78 | |
| CC(1/2) | 0.983 | 0.161 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 26-30% (w/v) PEG 4000, 0.1 M Tris pH 8.5 |
