4AG3
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with NADPH 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 | 2011-03-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 78.200, 112.210, 116.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.980 - 1.800 |
| R-factor | 0.16011 |
| Rwork | 0.158 |
| R-free | 0.19246 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4afn |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.473 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.840 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.470 |
| Number of reflections | 95761 | |
| <I/σ(I)> | 10.7 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 0.1 M TRIS-HCL PH 7.8, 10% (W/V) PEG3350, PROTEIN CONCENTRATION 8 MG/ML; THEN SOAKED WITH 5.5 MM NADPH FOR 19 H |
