6BPP
E. coli MsbA in complex with LPS and inhibitor G092
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 256.286, 89.786, 72.509 |
| Unit cell angles | 90.00, 91.29, 90.00 |
Refinement procedure
| Resolution | 38.167 - 2.920 |
| R-factor | 0.2591 |
| Rwork | 0.258 |
| R-free | 0.27770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.792 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((dev_2747: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 2.970 |
| High resolution limit [Å] | 2.920 | 2.920 |
| Rmerge | 0.098 | 0.570 |
| Number of reflections | 32865 | 2137 |
| <I/σ(I)> | 10.81 | |
| Completeness [%] | 92.3 | 78 |
| Redundancy | 3.9 | 2.6 |
| CC(1/2) | 0.996 | 0.507 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 200 mM NaCl, 19% PEG 550 MME, 4% PEG 400, 100 mM HEPES, pH7.0 |
