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 |