4BO4
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-methoxyphenyl)-3,4- dihydro-2H-quinoline-1-carboxamide at 2.7A 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 | 55.420, 108.610, 148.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.950 - 2.700 |
| R-factor | 0.20884 |
| Rwork | 0.206 |
| R-free | 0.25963 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw LIGAND-FRE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.381 |
| 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] | 30.820 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.100 | 0.490 |
| Number of reflections | 25271 | |
| <I/σ(I)> | 9.1 | 2.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1M HEPES PH 7.0, 1M SUCCINIC ACID, 1% (W/V) PEG MME 2000, 1MM N-(2-METHOXYPHENYL)-3,4- DIHYDRO-2H-QUINOLINE-1-CARBOXAMIDE, FINAL PROTEIN CONCENTRATION 5 MG/ML |
