1DQA
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.918, 172.630, 73.991 |
Unit cell angles | 90.00, 117.50, 90.00 |
Refinement procedure
Resolution | 44.000 - 2.000 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.19700 |
Structure solution method | MR |
RMSD bond length | 0.012 |
RMSD bond angle | 1.580 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.193 |
Number of reflections | 109778 | |
<I/σ(I)> | 27.4 | 7.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.9 | 3.5 |
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 | |
7 | 1 | 1 | NADP+ | 1 (mM) |