4IWS
Putative Aromatic Acid Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.297, 55.818, 198.422 |
| Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
| Resolution | 49.212 - 2.300 |
| R-factor | 0.1668 |
| Rwork | 0.164 |
| R-free | 0.21910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ip2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.059 | 0.244 |
| Number of reflections | 101115 | |
| <I/σ(I)> | 13.9 | 4.1 |
| Completeness [%] | 98.9 | 99.6 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 1 M (NH4)2SO4, 0.1 M Bis-Tris, 1% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
