4BO9
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy) phenyl)-2-phenyltetrazole at 2.9A 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 | 57.707, 108.866, 149.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.630 - 2.900 |
| R-factor | 0.27447 |
| Rwork | 0.272 |
| R-free | 0.31806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.405 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.600 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.100 | 0.550 |
| Number of reflections | 21289 | |
| <I/σ(I)> | 11.5 | 3 |
| Completeness [%] | 98.6 | 99.5 |
| Redundancy | 5.8 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES PH 7.0, 1.1 M SODIUM MALONATE, 0.5% (V/V) JEFFAMINE ED-2001, 1MM 5-[2-(FURAN-2-YLMETHOXY)PHENYL]-2-PHENYLTETRAZOLE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
