7BIS
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas aeruginosa in complex with DDD00082063
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-05 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.885, 144.299, 76.517 |
| Unit cell angles | 90.00, 116.26, 90.00 |
Refinement procedure
| Resolution | 83.850 - 1.960 |
| R-factor | 0.2108 |
| Rwork | 0.210 |
| R-free | 0.23120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cl6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.546 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.850 | 2.110 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.058 | 0.856 |
| Number of reflections | 59206 | 2960 |
| <I/σ(I)> | 12.5 | |
| Completeness [%] | 94.3 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.999 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG, Tris |
