3INJ
Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1
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 | 2008-03-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.916, 176.839, 102.464 |
| Unit cell angles | 90.00, 94.52, 90.00 |
Refinement procedure
| Resolution | 46.357 - 1.688 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.002 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.4_4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.077 | 0.270 |
| Number of reflections | 375531 | |
| <I/σ(I)> | 10.6 | 2.7 |
| Completeness [%] | 93.1 | 90.9 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 292 | 100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 10MM MGCL2, 100 MM GUANIDINE HCL, 16-17% W/V PEG 6000, 8MM DTT, pH 6.4, VAPOR DIFFUSION, temperature 292K |
