4B0I
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) mutant (H70N) from Pseudomonas aeruginosa in complex with 3-hydroxydecanoyl-N-acetyl cysteamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-11-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.791, 169.686, 108.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.150 - 2.030 |
| R-factor | 0.17378 |
| Rwork | 0.172 |
| R-free | 0.20571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fq9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.275 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.150 | 2.150 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 64767 | |
| <I/σ(I)> | 15.23 | 2.68 |
| Completeness [%] | 98.0 | 99.5 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 13% PEG MME 5000, 0.09 M LITHIUM SULPHATE, 0.1 M SODIUM CITRATE PH 4.5 |
