2QO0
Crystal structure of the complex between the A246F mutant of mycobacterium beta-ketoacyl-acyl carrier protein synthase III (FABH) and 11-(decyldithiocarbonyloxy)-undecanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.301, 93.052, 104.722 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.850 |
| R-factor | 0.20125 |
| Rwork | 0.194 |
| R-free | 0.26396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.020 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 46884 | |
| <I/σ(I)> | 11.3 | 5.5 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.37 | 6.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 100MM NA CITRATE, PH 5.60, 10% ISOPROPANOL, 18% PEG-4K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
