7OJ6
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 |
| Unit cell lengths | 167.170, 167.170, 98.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.520 - 1.840 |
| R-factor | 0.1724 |
| Rwork | 0.171 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dem |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.689 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.520 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.046 | 0.718 |
| Rmeas | 0.051 | 0.921 |
| Rpim | 0.023 | 0.564 |
| Number of reflections | 114341 | 4717 |
| <I/σ(I)> | 16.6 | 1 |
| Completeness [%] | 97.6 | 80.8 |
| Redundancy | 2.4 | 1.2 |
| CC(1/2) | 0.999 | 0.593 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 278 | 1.5 M NH4Cl, 0.1 M Na Acetate pH 4.5 |
