4B0C
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pentylthio)-4H-1,2,4-triazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-17 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.930, 141.700, 78.910 |
| Unit cell angles | 90.00, 115.67, 90.00 |
Refinement procedure
| Resolution | 35.230 - 2.700 |
| R-factor | 0.20643 |
| Rwork | 0.205 |
| R-free | 0.23201 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fq9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.230 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.040 | 0.710 |
| Number of reflections | 31096 | |
| <I/σ(I)> | 16.8 | 2.2 |
| Completeness [%] | 99.2 | 99.6 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | PEG MME 5000 13 %, 100 MM SODIUM CITRATE PH 4.5, LITHIUM SULPHATE 0.09 M |
