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 |