1GIN
CRYSTAL STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH GDP, IMP, HADACIDIN, NO3-, AND MG2+. DATA COLLECTED AT 298K (PH 6.5).
Experimental procedure
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-02-28 |
| Detector | SIEMENS |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.420, 81.420, 158.710 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 5.000 - 2.800 |
| R-factor | 0.188 |
| Rwork | 0.188 |
| R-free | 0.23200 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 24.600 * |
| Data reduction software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.800 * | 2.800 * |
| Rmerge | 0.094 | |
| Total number of observations | 128898 * | |
| Number of reflections | 17336 | |
| Completeness [%] | 99.0 | 99 * |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | imidazole | 50 (mM) | |
| 10 | 1 | drop | magnesium acetate | 200 (mM) | |
| 11 | 1 | reservoir | PEG8000 | 13 (%(w/w)) | |
| 12 | 1 | reservoir | cacodylate | 100 (mM) | |
| 13 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 2 | 1 | drop | succinate | 75 (mM) | |
| 3 | 1 | drop | IMP | 4 (mM) | |
| 4 | 1 | drop | GDP | 4 (mM) | |
| 5 | 1 | drop | 8 (mM) | ||
| 6 | 1 | drop | hadacidin | 5 (mM) | |
| 7 | 1 | drop | protein | 20 (mg/ml) | |
| 8 | 1 | drop | PEG8000 | 13 (%(w/w)) | |
| 9 | 1 | drop | cacodylate | 100 (mM) |
