4LS8
Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a covalent complex with cerulenin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.440, 87.560, 116.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.110 - 2.100 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.187 | 29.737 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.065 | 0.026 | 0.490 |
| Total number of observations | 6768 | 29358 | |
| Number of reflections | 50824 | ||
| <I/σ(I)> | 14.1 | 19.8 | 1.6 |
| Completeness [%] | 97.4 | 98.3 | 95.5 |
| Redundancy | 4.1 | 3.8 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | FabF:cerulenin complex: 15% PEG3000 , pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
