1DQ9
COMPLEX OF CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG-COA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-19 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.580, 171.200, 80.370 |
Unit cell angles | 90.00, 116.59, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.800 |
R-factor | 0.209 * |
Rwork | 0.207 |
R-free | 0.25300 * |
Structure solution method | MR |
RMSD bond length | 0.015 |
RMSD bond angle | 1.620 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.850 |
High resolution limit [Å] | 2.000 | 2.800 |
Rmerge | 0.073 | 0.398 |
Number of reflections | 37393 | |
<I/σ(I)> | 13.3 | 1.9 |
Completeness [%] | 85.6 | 41 |
Redundancy | 2.5 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 7.5 | 21 * | pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG4000 | 12-15 (%(w/v)) | |
2 | 1 | 1 | dithiothreitol | 30-50 (mM) | |
3 | 1 | 1 | glycerol | 10 (%) | |
4 | 1 | 1 | ammonium acetate | 0.1-0.2 (M) | |
5 | 1 | 1 | Na-HEPES | 30 (mM) | |
6 | 1 | 1 | (R,S)-HMG-CoA | molar ratio of 1:1 |