7CI7
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 | 2020-02-14 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.716, 67.046, 63.258 |
| Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
| Resolution | 22.170 - 2.100 |
| R-factor | 0.19689 |
| Rwork | 0.194 |
| R-free | 0.24964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.663 |
| 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] | 22.170 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.194 | 0.561 |
| Number of reflections | 17500 | 1750 |
| <I/σ(I)> | 5.92 | 1.67 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.03M Diethylene glycol 0.03M Triethylene glycol 0.03M Tetraethylene glycol 0.03M Pentaethylene glycol 0.1M Tris - BICINE pH 8.5 20 % v/v PEG 500 MME 10 % w/v PEG 20000 |
