7CIB
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.780, 75.800, 95.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.240 - 1.610 |
| R-factor | 0.18002 |
| Rwork | 0.178 |
| R-free | 0.21772 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.624 |
| 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] | 35.243 | 1.650 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.067 | 0.878 |
| Number of reflections | 28572 | 2003 |
| <I/σ(I)> | 12.8 | 1.3 |
| Completeness [%] | 83.7 | 80.7 |
| Redundancy | 4.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 25% PEG 4K 0.2M MgCl2 0.1M Tris pH 8.5 |
