3QT6
Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor DPGP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-05 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.670, 101.442, 154.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.601 - 2.047 |
R-factor | 0.1851 |
Rwork | 0.183 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qt5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.340 | 2.120 |
High resolution limit [Å] | 2.047 | 2.050 |
Rmerge | 0.091 | 0.505 |
Number of reflections | 41213 | |
<I/σ(I)> | 26.6 | 5.1 |
Completeness [%] | 98.2 | 100 |
Redundancy | 13.9 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.25 M sodium formate, 16% w/v PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |