3OWA
Crystal Structure of Acyl-CoA Dehydrogenase complexed with FAD from Bacillus anthracis
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 | 2010-03-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.613, 98.028, 107.743 |
| Unit cell angles | 92.80, 106.63, 105.30 |
Refinement procedure
| Resolution | 50.000 - 1.970 |
| R-factor | 0.16417 |
| Rwork | 0.162 |
| R-free | 0.20131 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 2Z1Q |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.425 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 195135 | |
| <I/σ(I)> | 12.1 | 2.03 |
| Completeness [%] | 97.3 | 92.6 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.05 M Ammonium sulfate 0.05 M BIS-TRIS pH6.5, 30 % v/v Pentaerythritol ethoxylate (15/4 EO/OH), VAPOR DIFFUSION, SITTING DROP, temperature 289K |
