3SZA
Crystal structure of human ALDH3A1 - apo form
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 | CCD |
| Collection date | 2009-08-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9869 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.412, 86.080, 170.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.480 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ad3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.545 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 4.020 | 1.480 |
| Rmerge | 0.058 | 0.032 | 0.327 |
| Number of reflections | 146816 | ||
| <I/σ(I)> | 16.7 | ||
| Completeness [%] | 97.8 | 97.8 | 92.3 |
| Redundancy | 4.7 | 4.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 0.2 M potassium acetate, 18% PEG 3350, vapor diffusion, temperature 298K |
