4CL6
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-05 |
| Detector | RIGAKU CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.610, 142.870, 77.850 |
| Unit cell angles | 90.00, 116.47, 90.00 |
Refinement procedure
| Resolution | 43.510 - 2.410 |
| R-factor | 0.18355 |
| Rwork | 0.182 |
| R-free | 0.21169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b0c |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.510 | 2.470 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.070 | 0.620 |
| Number of reflections | 42735 | |
| <I/σ(I)> | 17.5 | 2.3 |
| Completeness [%] | 97.4 | 94.8 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.1 M LITHIUM SULPHATE, 12 % PEG MME 5000, 0.1 M SODIUM CITRATE PH 5 |
