3IP8
Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9756 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.640, 65.600, 41.880 |
| Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
| Resolution | 32.955 - 1.498 |
| R-factor | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.18060 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.351 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.498 |
| Rmerge | 0.061 |
| Number of reflections | 29865 |
| <I/σ(I)> | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | well solution 0.1M Tris pH 8.0 and 30% Peg 10K, Protein 10-15mg/ml in Tris pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
