7OK2
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-27 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 247.292, 367.650, 372.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.450 - 2.890 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dem |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.580 | 2.940 |
| High resolution limit [Å] | 2.890 | 2.890 |
| Rmerge | 0.593 | 3.259 |
| Rpim | 0.368 | 2.180 |
| Number of reflections | 374109 | 18008 |
| <I/σ(I)> | 3.4 | 0.6 |
| Completeness [%] | 99.8 | 97.2 |
| Redundancy | 6.9 | 6.2 |
| CC(1/2) | 0.925 | 0.140 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 278 | 1.6 M (NH4)2SO4, 10% 1,4-Dioxane, 0.1 M MES pH 6.7 |
