7DEN
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.150, 66.310, 63.520 |
| Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
| Resolution | 45.870 - 2.070 |
| R-factor | 0.16881 |
| Rwork | 0.166 |
| R-free | 0.21542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uhm |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.780 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.870 | 2.120 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.121 | 0.599 |
| Number of reflections | 18557 | 2725 |
| <I/σ(I)> | 7.43 | 1.93 |
| Completeness [%] | 99.7 | |
| Redundancy | 3.47 |
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 |
