7DEL
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 | 2016-12-13 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.613, 66.859, 62.890 |
| Unit cell angles | 90.00, 90.42, 90.00 |
Refinement procedure
| Resolution | 62.890 - 2.150 |
| R-factor | 0.19519 |
| Rwork | 0.192 |
| R-free | 0.25628 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.802 |
| 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] | 62.890 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.160 | 0.672 |
| Number of reflections | 16154 | 1619 |
| <I/σ(I)> | 11.59 | 2.01 |
| Completeness [%] | 99.8 | |
| Redundancy | 5.2 |
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 |
