1JUY
REFINED CRYSTAL STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH HYDANTOCIDIN 5'-PHOSPHATE GDP, HPO4(2-), MG2+, AND HADACIDIN
Experimental procedure
| Detector technology | AREA DETECTOR |
| Collection date | 1996-07-04 |
| Detector | SIEMENS-NICOLET X100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.400, 80.400, 158.410 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 5.000 - 2.600 * |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.25000 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 24.900 * |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.600 * | 2.600 * |
| Rmerge | 0.094 | |
| Total number of observations | 181667 * | |
| Number of reflections | 22503 | |
| Completeness [%] | 99.0 | 93 * |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | imidazole | 25 (mM) | |
| 10 | 1 | reservoir | PEG8000 | 13 (%(w/w)) | |
| 11 | 1 | reservoir | cacodylic acid | 100 (mM) | |
| 12 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 2 | 1 | drop | succinate | 37.5 (mM) | |
| 3 | 1 | drop | GDP | 2 (mM) | |
| 4 | 1 | drop | phosphate | 2 (mM) | |
| 5 | 1 | drop | hydantocidin 5'-phosphate | 0.2 (mM) | |
| 6 | 1 | drop | protein | 10 (mg/ml) | |
| 7 | 1 | drop | PEG8000 | 6.5 (%(w/w)) | |
| 8 | 1 | drop | cacodylic acid | 50 (mM) | |
| 9 | 1 | drop | magnesium acetate | 100 (mM) |
