4BO6
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.490, 108.860, 147.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.940 - 2.800 |
| R-factor | 0.19968 |
| Rwork | 0.197 |
| R-free | 0.25537 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw LIGAND-FREE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.397 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.930 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.100 | 0.400 |
| Number of reflections | 19603 | |
| <I/σ(I)> | 10.5 | 3.7 |
| Completeness [%] | 88.2 | 79.9 |
| Redundancy | 4.4 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.24 M SODIUM MALONATE PH 7.0, 20% (W/V) PEG3350, 1 MM 2,3-DIHYDROINDOL-1-YL-(2-THIOPHEN- 3-YL-1,3-THIAZOL-4-YL)METHANONE, FINAL PROTEIN CONCENTRATION 5 MG/ML |
