3AE0
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 80.118, 80.118, 183.617 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.370 |
| R-factor | 0.22234 |
| Rwork | 0.219 |
| R-free | 0.28055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ZCP |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.522 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.056 | 0.581 |
| Number of reflections | 28335 | |
| <I/σ(I)> | 32.5 | 3.1 |
| Completeness [%] | 99.1 | 97.5 |
| Redundancy | 6.2 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 11-21% PEG 4000, 0.3-0.4M MgCl2, 0.1M Tris, 0.5mM GGsPP, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
