4BO2
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A 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 | 58.550, 108.920, 149.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.560 - 1.900 |
| R-factor | 0.23671 |
| Rwork | 0.235 |
| R-free | 0.26923 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bnw LIGAND-FREE |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.693 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.530 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 67510 | |
| <I/σ(I)> | 12.3 | 4.3 |
| Completeness [%] | 88.5 | 56 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.8 M SUCCINIC ACID PH 7.0, 1 MM 1-(1-ETHYLBENZIMIDAZOL-2-YL)-3-(2-METHOXYPHENYL)UREA, FINAL PROTEIN CONCENTRATION 5 MG/ML |
