7BKA
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD01870824
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-21 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.670, 142.030, 77.900 |
| Unit cell angles | 90.00, 114.14, 90.00 |
Refinement procedure
| Resolution | 43.070 - 1.880 |
| R-factor | 0.1972 |
| Rwork | 0.196 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cl6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.614 |
| Data reduction software | XDS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.070 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.065 | 1.249 |
| Number of reflections | 91024 | 17404 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.998 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 4000, Ammonium sulfate, sodium citrate |
