3KSI
structure of fRMsr of Staphylococcus aureus (complex with 2-propanol)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-31 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2386 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 89.839, 89.839, 88.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.920 - 1.700 |
| R-factor | 0.258 |
| Rwork | 0.218 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vhm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS (1.2) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.700 |
| Number of reflections | 23645 |
| Completeness [%] | 94.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 2M ammonium sulfate, 10% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
