5L13
Structure of ALDH2 in complex with 2P3
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 | 2012-11-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.412, 127.049, 294.847 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.1578 |
| Rwork | 0.155 |
| R-free | 0.20640 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.324 |
| Data reduction software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.093 | 0.042 | 0.280 |
| Number of reflections | 141511 | ||
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 94.2 | 97.8 | 85.7 |
| Redundancy | 5 | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 300 | 100 mM ACES, 100 mM guanidine-HCl, 10 mM MgCl2, 4 mM dithiothreitol, 18% PEG6000 |
