4E9U
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor
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 | 2010-10-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.440, 80.440, 90.793 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.770 - 2.100 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.962 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.6.4_486)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.100 |
| Rmerge | 0.066 |
| Number of reflections | 20218 |
| Completeness [%] | 99.9 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 0.75M POTASSIUM SODIUM TARTRATE, 1MM BPH-954 (LIGAND) , pH 7.4, VAPOR DIFFUSION, HANGING DROP |
