3ACY
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-702
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97315 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.494, 80.494, 90.788 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.840 |
| R-factor | 0.16929 |
| Rwork | 0.167 |
| R-free | 0.21788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zco |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.514 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.064 | 0.486 |
| Number of reflections | 29936 | |
| <I/σ(I)> | 29.1 | 4.2 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.12-0.58M potassium sodium tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
