4BNY
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A 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 | 54.940, 108.390, 148.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.600 - 1.800 |
| R-factor | 0.17404 |
| Rwork | 0.173 |
| R-free | 0.20088 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw LIGAND FREE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.874 |
| 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] | 30.580 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.350 |
| Number of reflections | 82576 | |
| <I/σ(I)> | 13 | 3.8 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.24 M SODIUM MALONATE PH 7.0, 20% (W/V) PEG3350, 1 MM 4-(2-PHENYLTHIENO(3, 2-D)PYRIMIDIN-4-YL)MORPHOLINE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
