3PAA
Mechanism of inactivation of E. coli aspartate aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid (S-ADFA) pH 8.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 154.846, 85.769, 79.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.300 - 1.900 |
| R-factor | 0.139 |
| Rwork | 0.137 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.360 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 77.300 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 49045 |
| Completeness [%] | 99.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 297 | Ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
