3N80
Human mitochondrial aldehyde dehydrogenase, 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 | 2005-10-15 |
| Detector | APS-1 |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 141.662, 152.291, 177.282 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.151 |
| Rwork | 0.149 |
| R-free | 0.17500 |
| Structure solution method | Direct Refinement |
| Starting model (for MR) | 1o05 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.535 |
| Data reduction software | HKL-3000 |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.056 | 0.267 |
| Number of reflections | 599824 | |
| <I/σ(I)> | 20.1 | 3.6 |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 292 | 100 MM ACES (N-[2-ACETAMIDO]-2-AMINOETHANE SULFONIC ACID), 1-10MM MGCL2, 100-200 MM GUANIDINE HCL, 16-17% W/V PEG 6000, pH 6.4, vapor diffusion, temperature 292K |
