1QF5
DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 81.750, 81.750, 158.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 6.000 - 2.000 |
| Rwork | 0.196 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1juy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.358 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (98) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 8.000 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.062 |
| Number of reflections | 31224 |
| Completeness [%] | 76.2 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.5 | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | cacodylate | 0.1 (M) | |
| 2 | 1 | 1 | ammonium sulfate | 0.2 (M) | |
| 3 | 1 | 1 | PEG8000 | 30 (%) |
