4B8U
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-06 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.900, 143.670, 78.000 |
| Unit cell angles | 90.00, 116.51, 90.00 |
Refinement procedure
| Resolution | 71.830 - 2.760 |
| R-factor | 0.18483 |
| Rwork | 0.183 |
| R-free | 0.22451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fq9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.387 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.830 | 2.830 |
| High resolution limit [Å] | 2.780 | 2.760 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 27828 | |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 96.8 | 98.8 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | PEG MME 5000 13 %, 100 MM SODIUM CITRATE PH 5.0, LITHIUM SULPHATE 0.1 M |
