2HK2
Crystal structure of mevalonate diphosphate decarboxylase from Staphylococcus aureus (monoclinic form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.931 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.495, 53.061, 100.882 |
Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
Resolution | 46.920 - 2.300 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.24900 |
Structure solution method | SAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.805 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.920 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.102 | 0.295 |
Total number of observations | 30232 | |
Number of reflections | 40530 | |
<I/σ(I)> | 6.6 | 2.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.2 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Tris, 1.8M sodium malonate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |