4BNU
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.300, 108.560, 148.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.520 - 2.000 |
| R-factor | 0.20353 |
| Rwork | 0.201 |
| R-free | 0.24717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4BNT CHAIN A |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.601 |
| 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] | 37.490 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.510 |
| Number of reflections | 60483 | |
| <I/σ(I)> | 6.2 | 2 |
| Completeness [%] | 98.7 | 95.8 |
| Redundancy | 4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M SODIUM CACODYLATE PH 6.5, 1 M TRI-SODIUM CITRATE, 1 MM 2-PHENYL-4-(1,2, 4-TRIAZOL-4-YL)QUINAZOLINE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
