4AON
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 71.022, 71.022, 216.376 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.510 - 1.500 |
| R-factor | 0.136 |
| Rwork | 0.135 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aw8 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.510 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.160 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.520 |
| Number of reflections | 52794 | |
| <I/σ(I)> | 33.8 | 6.2 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 19 | 18.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 5 MG/ML ASPARTATE-ALPHA-DECARBOXYLASE IN 1.5 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE, PH 3.8 |
