1DQ8
COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG AND COA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-03-01 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.297, 130.182, 92.547 |
Unit cell angles | 90.00, 106.48, 90.00 |
Refinement procedure
Resolution | 38.000 - 2.100 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.23900 |
Structure solution method | DIRECT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.510 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB (V. 2.0) |
Refinement software | CNS (0.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 2.140 |
High resolution limit [Å] | 2.000 | 2.100 |
Rmerge | 0.059 | 0.385 |
Number of reflections | 101445 | |
<I/σ(I)> | 16 | 2.5 |
Completeness [%] | 99.1 | 97.5 |
Redundancy | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 7.5 | 21 * | PEG 4000, AMONIUM ACETATE, SODIUM HEPES, GLYCEROL, DTT, HMG-COA, 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 |