4BO8
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-09 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.060, 108.570, 147.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.110 - 2.700 |
| R-factor | 0.25454 |
| Rwork | 0.252 |
| R-free | 0.30093 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.457 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.080 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.180 | 0.490 |
| Number of reflections | 23723 | |
| <I/σ(I)> | 6.2 | 2.9 |
| Completeness [%] | 96.2 | 99.7 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M SODIUM CACODYLATE PH 6.5, 0.2 M SODIUM CHLORIDE, 2 M AMMONIUM SULPHATE, 1MM 1-(2-AMINO- 4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, FINAL PROTEIN CONCENTRATION 5 MG/ML |
