4B0J
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-11 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.753, 108.170, 201.766 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 23.950 - 2.500 |
| R-factor | 0.23456 |
| Rwork | 0.233 |
| R-free | 0.26509 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fq9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.335 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | 0.370 |
| Number of reflections | 155181 | |
| <I/σ(I)> | 13.6 | 2.26 |
| Completeness [%] | 96.9 | 84.3 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 13% PEG MME 5000, 0.09 M LITHIUM SULPHATE, 0.1 MM SODIUM CITRATE PH 4.5 |
