7CI9
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 | 2020-02-18 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.626, 66.630, 63.612 |
| Unit cell angles | 90.00, 89.12, 90.00 |
Refinement procedure
| Resolution | 22.510 - 1.900 |
| R-factor | 0.17056 |
| Rwork | 0.168 |
| R-free | 0.21671 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.624 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.600 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.169 | 0.575 |
| Number of reflections | 23475 | 2352 |
| <I/σ(I)> | 8.91 | 1.87 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 20 % w/v Polyethylene glycol 3,350 200 mM Sodium Potassium phosphate |
