3D3S
Crystal structure of L-2,4-diaminobutyric acid acetyltransferase from Bordetella parapertussis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.160, 63.145, 77.331 |
| Unit cell angles | 90.00, 96.06, 90.00 |
Refinement procedure
| Resolution | 48.800 - 1.870 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.21000 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.757 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 1.900 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.078 | 0.669 |
| Number of reflections | 55224 | |
| <I/σ(I)> | 12.3 | 2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 289 | 1.26 M Ammonium sulfate, 0.1 M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K, pH 6.3 |
