1HWL
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH ROSUVASTATIN (FORMALLY KNOWN AS ZD4522)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 2000-05-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.432, 172.512, 79.987 |
| Unit cell angles | 90.00, 117.36, 90.00 |
Refinement procedure
| Resolution | 43.290 - 2.100 |
| R-factor | 0.219 * |
| Rwork | 0.219 |
| R-free | 0.23900 |
| Structure solution method | difference fourier |
| Starting model (for MR) | 1dqa |
| RMSD bond length | 0.087 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.072 | 0.473 |
| Number of reflections | 101858 | |
| <I/σ(I)> | 21.1 | 1.3 |
| Completeness [%] | 97.6 | 87.6 |
| Redundancy | 5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 | 21 * | used microseeding * |
| 1 | Batch method * | 7.5 | 21 * | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 3-5 (mg/ml) | |
| 2 | 1 | 1 | PEG4000 | 12-15 (%(w/v)) | |
| 3 | 1 | 1 | ammonium acetate | 0.15-0.2 (M) | |
| 4 | 1 | 1 | sodium HEPES | 25 (mM) | |
| 5 | 1 | 1 | dithiothreitol | 50 (mM) | |
| 6 | 1 | 1 | ADP | 10 (mM) | |
| 7 | 1 | 1 | glycerol | 10 (%) |
