5L2M
Structure of ALDH1A1 in complex with BUC11
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 | PIXEL |
| Collection date | 2016-03-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 109.064, 109.064, 83.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 1.700 |
| R-factor | 0.219 |
| Rwork | 0.218 |
| R-free | 0.23800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.395 |
| Data reduction software | HKL-3000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.077 | 0.501 |
| Number of reflections | 54446 | |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 97.6 | 97 |
| Redundancy | 6.4 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 100 mM BisTris, 200 mM NaCl, 5 mM YbCl3, 9-11% PEG3350 |
