9R3Z
Exploiting ALDH1A2 and ALDH1A3 Isoform Variability for Crystallization Screening
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.841, 139.478, 85.171 |
| Unit cell angles | 90.00, 93.93, 90.00 |
Refinement procedure
| Resolution | 72.570 - 2.800 |
| R-factor | 0.212 |
| Rwork | 0.208 |
| R-free | 0.28520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.036 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.000 | 2.850 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Number of reflections | 48094 | 2340 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.1 | |
| CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.09 M NPS, 0.1 M Buffer System 3 (1.0M ph 8.5 Tris (base); BICINE 8.5) 30 % v/v Precipitant Mix 3 (40% v/v Glycerol; 20% w/v PEG 4000) |
