7QK9
Crystal structure of the ALDH1A3-ATP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 82.106, 90.009, 158.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.782 |
| R-factor | 0.1937 |
| Rwork | 0.193 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fhz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3 (18-SEP-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.062 | 2.369 |
| Rmeas | 0.067 | |
| Rpim | 0.026 | |
| Number of reflections | 111992 | 4978 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 99.4 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.570 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | The crystallization solution consisted of 100 mM BIS-Tris, pH 5.5, 2-2.2 M ammonium sulfate and 5% PEG 400. |
