4OE5
Structure of Human ALDH4A1 Crystallized in Space Group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.960, 121.335, 93.397 |
| Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
| Resolution | 42.411 - 1.950 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3v9g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.012 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.049 | 0.023 | 0.453 |
| Number of reflections | 139296 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 96.5 | 99.3 | 93 |
| Redundancy | 3.5 | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20 - 25 % (w/v) PEG 3350, 0.2 M MgCl2, and 0.1 M HEPES at pH 7.0 - 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
