3TFV
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.999, 80.999, 90.737 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3npr |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.372 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.000 |
| Number of reflections | 7190 |
| Completeness [%] | 98.9 |
| Redundancy | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.2M Potassium sodium tartrate, 20% w/v PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
