8QK9
Structure of E. coli LpxH in complex with JEDI-1444
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.918401 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.309, 81.178, 32.974 |
| Unit cell angles | 90.00, 103.32, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.900 |
| R-factor | 0.17949 |
| Rwork | 0.178 |
| R-free | 0.21174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.527 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 24774 | 24774 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 7.1 | |
| CC(1/2) | 0.999 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | Morpheus III - G9 1.2 % Cholic acid derivatives mix 0.1 M Buffer System 2 7.5 Precipitant Mix 1 |
