7DEM
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 | PIXEL |
| Collection date | 2017-07-12 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.854, 66.306, 63.542 |
| Unit cell angles | 90.00, 90.63, 90.00 |
Refinement procedure
| Resolution | 63.540 - 1.900 |
| R-factor | 0.19617 |
| Rwork | 0.194 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.949 |
| Data reduction software | CrysalisPro (40.53) |
| Data scaling software | CrysalisPro (40.53) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.540 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.154 | 0.438 |
| Number of reflections | 23367 | 2343 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.1 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9.5 | 293 | 20 % w/v Polyethylene glycol 8,000, 100 mM CHES pH 9.5 |
