4BNT
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.180, 109.152, 145.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.100 - 2.300 |
| R-factor | 0.19359 |
| Rwork | 0.191 |
| R-free | 0.23623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4AFN CHAIN A |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.532 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.080 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.480 |
| Number of reflections | 38863 | |
| <I/σ(I)> | 14.5 | 3.5 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M SODIUM MALONATE, 20% (W/V) PEG3350, 10 MM 2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE, FINAL PROTEIN CONCENTRATION 5MG/ML |
