4AOK
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 | 71.300, 71.300, 215.900 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.720 - 1.500 |
| R-factor | 0.14619 |
| Rwork | 0.144 |
| R-free | 0.17960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aw8 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.143 |
| 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] | 53.980 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.090 | 1.480 |
| Number of reflections | 52548 | |
| <I/σ(I)> | 15.4 | 1.7 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 9.5 | 9.1 |
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 |
