1NHT
ENTRAPMENT OF 6-THIOPHOSPHORYL-IMP IN THE ACTIVE SITE OF CRYSTALLINE ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI DATA COLLECTED AT 100K
Experimental procedure
| Detector technology | AREA DETECTOR |
| Collection date | 1996-05-05 |
| Detector | SIEMENS-NICOLET X100 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 80.540, 80.540, 158.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 5.000 - 2.500 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.25500 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 24.800 * |
| Data reduction software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| High resolution limit [Å] | 2.500 * | 2.500 * |
| Rmerge | 0.079 | |
| Total number of observations | 161473 * | |
| Number of reflections | 22201 | |
| Completeness [%] | 98.0 | 96 * |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 * | 100 * |
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 | GTP | 2 (mM) | |
| 4 | 1 | drop | 6-mercapto-IMP | 2 (mM) | |
| 5 | 1 | drop | hadacidin | 2.5 (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) |
