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 |