7CI6
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 | 2016-06-22 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.475, 50.772, 76.063 |
| Unit cell angles | 76.18, 72.38, 61.57 |
Refinement procedure
| Resolution | 31.320 - 2.700 |
| R-factor | 0.25677 |
| Rwork | 0.252 |
| R-free | 0.33660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.432 |
| 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] | 31.300 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.129 | 0.468 |
| Number of reflections | 16646 | 1673 |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 96.4 | 95.8 |
| Redundancy | 3.85 | 3.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 20 % w/v Polyethylene glycol 6,000 100 mM HEPES pH 7.0 200 mM Magnesium chloride |
