1HUX
CRYSTAL STRUCTURE OF THE ACIDAMINOCOCCUS FERMENTANS (R)-2-HYDROXYGLUTARYL-COA DEHYDRATASE COMPONENT A
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 130 |
| Detector technology | CCD |
| Collection date | 1999-06-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.6920, 1.7395, 1.7419, 1.7968 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.070, 51.990, 74.700 |
| Unit cell angles | 90.00, 118.81, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| Rwork | 0.236 |
| R-free | 0.27900 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.326 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.084 | 0.203 |
| Total number of observations | 79725 * | |
| Number of reflections | 11525 | |
| <I/σ(I)> | 21.7 | 10 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.92 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 * | 298 | 100 mM sodium citrate pH 5.6, 20% PEG 4000, 20% isopropanol, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20-40 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 0.3 (M) | ||
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | drop | ADP | 1 (mM) | |
| 6 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 7 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 8 | 1 | reservoir | isopropanol | 20 (%(v/v)) |
