1HW9
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH SIMVASTATIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 123 |
| Detector technology | CCD |
| Collection date | 2000-07-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.550, 172.817, 80.033 |
| Unit cell angles | 90.00, 117.56, 90.00 |
Refinement procedure
| Resolution | 43.430 - 2.330 |
| R-factor | 0.222 * |
| Rwork | 0.222 |
| R-free | 0.24800 |
| Structure solution method | difference fourier |
| Starting model (for MR) | 1dqa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| 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 | 2.370 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.064 | 0.452 |
| Number of reflections | 73854 | |
| <I/σ(I)> | 20.7 | 1.6 |
| Completeness [%] | 95.8 | 61.7 |
| Redundancy | 3.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 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 (%) |
