2HK3
Crystal structure of mevalonate diphosphate decarboxylase from Staphylococcus aureus (orthorhombic 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 21 21 21 |
Unit cell lengths | 53.021, 126.036, 135.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.770 - 2.300 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hk2 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.747 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.770 | 41.780 | 2.420 |
High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
Rmerge | 0.111 | 0.086 | 0.244 |
Total number of observations | 9296 | 47437 | |
Number of reflections | 41319 | ||
<I/σ(I)> | 5 | 4.8 | 3 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7.8 | 6.3 | 8 |
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 |