4B0B
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 3-(pyridin-2-yloxy)aniline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.320, 117.990, 47.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.300 - 1.900 |
| R-factor | 0.20486 |
| Rwork | 0.203 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fq9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.255 |
| Data reduction software | XDS |
| Data scaling software | TRUNCATE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.300 | 1.920 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 26978 | |
| <I/σ(I)> | 14.9 | 3.21 |
| Completeness [%] | 99.0 | 97.6 |
| Redundancy | 7.78 | 4.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 15 % PEG 8000,0.2 M MAGNESIUM CHLORIDE, TRIS-HCL PH 8.0 |
