4X2Q
Crystal Structure of Human Aldehyde Dehydrogenase, ALDH1a2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.597, 140.508, 164.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.940 |
| R-factor | 0.2684 |
| Rwork | 0.266 |
| R-free | 0.31280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b19 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.922 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.060 |
| High resolution limit [Å] | 2.940 | 6.350 | 2.950 |
| Rmerge | 0.183 | 0.065 | |
| Number of reflections | 37839 | ||
| <I/σ(I)> | 7.2 | 1.4 | |
| Completeness [%] | 89.6 | 99.9 | 91 |
| Redundancy | 7.4 | 9.9 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | TCEP, HEPES, KCl, EDTA, PEG8000, imidazole |
