7CI8
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-11-24 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.037, 50.264, 76.141 |
| Unit cell angles | 72.60, 76.97, 64.60 |
Refinement procedure
| Resolution | 26.740 - 3.000 |
| R-factor | 0.27018 |
| Rwork | 0.266 |
| R-free | 0.35047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.558 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.730 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.173 | 0.409 |
| Number of reflections | 12288 | 1250 |
| <I/σ(I)> | 5.2 | 2.1 |
| Completeness [%] | 96.7 | 96.1 |
| Redundancy | 3.83 | 3.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 20 % w/v Polyethylene glycol 6,000 100 mM Tris pH 8.0 200 mM Magnesium chloride |
