3QAE
3-hydroxy-3-methylglutaryl-coenzyme A reductase of 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 | 2010-05-14 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.483, 90.367, 160.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.720 - 2.300 |
| R-factor | 0.20892 |
| Rwork | 0.207 |
| R-free | 0.24108 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qax |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.032 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.720 | 24.720 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.115 | 0.049 | 0.291 |
| Number of reflections | 24163 | ||
| <I/σ(I)> | 8.8 | 20.1 | 3.4 |
| Completeness [%] | 99.9 | 97.5 | 100 |
| Redundancy | 3.7 | 5.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 2.0M Ammonium Sulfate, 6% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
