4IP2
Putative Aromatic Acid Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 96.850, 96.850, 301.481 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.300 - 1.950 |
| R-factor | 0.20138 |
| Rwork | 0.199 |
| R-free | 0.24790 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.240 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.300 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.085 | 0.792 |
| Number of reflections | 120078 | |
| <I/σ(I)> | 7.9 | 1.5 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 0.1M HEPES, 0.2M MgCl2, 10% PEG400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
