4BO3
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(3-(trifluoromethyl) anilino)pyridine-3-sulfonamide at 2.5A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-29 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.210, 109.402, 148.615 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.890 - 2.500 |
| R-factor | 0.23427 |
| Rwork | 0.232 |
| R-free | 0.28103 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.416 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.860 | 2.620 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.110 | 0.530 |
| Number of reflections | 31419 | |
| <I/σ(I)> | 12.1 | 4.7 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M SODIUM/POTASSIUM PHOSPHATE, 20% (W/V) PEG3350, 1 MM 2-[3-(TRIFLUOROMETHYL)ANILINO] PYRIDINE-3-SULFONAMIDE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
