6VR6
Structure of ALDH9A1 complexed with NAD+ in space group P1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 82.785, 90.297, 145.236 |
| Unit cell angles | 89.37, 84.04, 73.87 |
Refinement procedure
| Resolution | 79.087 - 2.500 |
| R-factor | 0.2143 |
| Rwork | 0.213 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4s |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.090 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.500 |
| Rmeas | 0.127 | 0.708 |
| Rpim | 0.090 | 0.500 |
| Total number of observations | 177440 | 9039 |
| Number of reflections | 106567 | 5667 |
| <I/σ(I)> | 4.5 | 1 |
| Completeness [%] | 76.7 | 82.8 |
| Redundancy | 1.7 | 1.6 |
| CC(1/2) | 0.991 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 281 | 0.1 M NaCl, 0.05 M Bis-Tris pH 6.5, 0.1 M ammonium acetate, 0.05 M HEPES pH 9.5, 25% (w/v) PEG 3350 |
