7CI4
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 | 2016-04-23 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.367, 51.180, 96.763 |
| Unit cell angles | 90.00, 108.22, 90.00 |
Refinement procedure
| Resolution | 23.320 - 2.000 |
| R-factor | 0.1896 |
| Rwork | 0.187 |
| R-free | 0.24088 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.601 |
| 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] | 23.310 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.077 | 0.313 |
| Number of reflections | 41967 | 4073 |
| <I/σ(I)> | 13.7 | 5.6 |
| Completeness [%] | 96.9 | 94.4 |
| Redundancy | 7.47 | 7.32 |
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 |
