7BHJ
Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774
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 | 2018-10-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.420, 142.200, 78.430 |
| Unit cell angles | 90.00, 114.68, 90.00 |
Refinement procedure
| Resolution | 66.500 - 2.110 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cl6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.570 |
| 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] | 66.500 | 2.150 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.064 | 1.298 |
| Number of reflections | 65125 | 3225 |
| <I/σ(I)> | 10.68 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4.05 | |
| CC(1/2) | 0.998 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 8000, Magnesium chloride, Tris-HcL |
