3QAU
3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-24 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.355, 90.641, 162.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.240 - 2.300 |
| R-factor | 0.18098 |
| Rwork | 0.180 |
| R-free | 0.20746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qax |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.980 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.240 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.166 |
| Number of reflections | 24371 | |
| <I/σ(I)> | 20.3 | 5.6 |
| Completeness [%] | 99.2 | 95.2 |
| Redundancy | 5.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 2.0M Ammonium Sulfate, 6% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
