4BO7
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2,3-dihydro-1H-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.210, 109.460, 147.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.290 - 2.600 |
| R-factor | 0.20009 |
| Rwork | 0.197 |
| R-free | 0.25573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.436 |
| 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] | 37.260 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.120 | 0.510 |
| Number of reflections | 27396 | |
| <I/σ(I)> | 11.3 | 3.1 |
| Completeness [%] | 98.7 | 97 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 24% (W/V) PEG1500, 20% (W/V) GLYCEROL, 1 MM N-(2,3-DIHYDRO-1H-INDEN-5-YL)TETRAZOLO[1,5-B] PYRIDAZIN-6-AMINE, FINAL PROTEIN CONCENTRATION 6.7 MG/ML |
