1XPM
Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-28 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.119, 118.774, 121.304 |
| Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.600 |
| Rwork | 0.210 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xpk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BEAST |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
| Rmerge | 0.082 | 0.054 | 0.605 |
| Number of reflections | 217551 | ||
| <I/σ(I)> | 28.3 | ||
| Completeness [%] | 89.8 | 98.5 | 77.7 |
| Redundancy | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 292 | mmonium sulfate, Tris, DTT, pH 7.5, VAPOR DIFFUSION, temperature 292K |
