7A8Y
X-ray crystal structure of Aspartate alpha-decarboxylase in complex with D-Serine
This is a non-PDB format compatible entry.
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 | 2010-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 71.300, 71.300, 216.650 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.975 - 1.750 |
| Rwork | 0.171 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aw8 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.258 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.980 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.024 | 0.156 |
| Number of reflections | 33922 | 3301 |
| <I/σ(I)> | 21.5 | 5.25 |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 293 | 1.8 M ammonium sulphate, 100 mM sodium citrate pH 4.5 |
