7CIA
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.910, 76.250, 97.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 1.920 |
| R-factor | 0.16803 |
| Rwork | 0.165 |
| R-free | 0.21331 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.626 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 1.970 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.063 | 0.548 |
| Number of reflections | 20142 | 738 |
| <I/σ(I)> | 20.16 | 2.64 |
| Completeness [%] | 95.0 | 48.2 |
| Redundancy | 4.78 | 2.41 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.1 M TRIS pH 8.5 30% Polyethylene glycol 4K 0.2M MgCl2 |
