3QT7
Crystal structure of Staphylococcus epidermidis mevalonate diphosphate decarboxylase complexed with inhibitor 6-FMVAPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.798, 101.491, 155.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.701 - 2.199 |
| R-factor | 0.1805 |
| Rwork | 0.178 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qt5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.074 |
| 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] | 49.493 | 2.280 |
| High resolution limit [Å] | 2.199 | 2.200 |
| Rmerge | 0.109 | 0.460 |
| Number of reflections | 33575 | |
| <I/σ(I)> | 20 | 5 |
| Completeness [%] | 96.9 | 99.9 |
| Redundancy | 14.5 | 11.8 |
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 |
