1O04
Cys302Ser mutant of human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+
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 | 2001-12-01 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 141.211, 152.487, 177.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.420 |
| R-factor | 0.1466 |
| Rwork | 0.145 |
| R-free | 0.17100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cw3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.060 | 0.439 |
| Total number of observations | 3220059 * | |
| Number of reflections | 683580 | |
| <I/σ(I)> | 20.7 | 1.8 |
| Completeness [%] | 95.8 | 74 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 20 * | ACES, PEG 6000, Guanidine HCl, MgCl2, DTT., pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium-ACES | 100 (mM) | pH6.2-6.6 |
| 2 | 1 | reservoir | PEG6000MW | 15-19 (%(w/v)) | |
| 3 | 1 | reservoir | guanidine-HCl | 100 (mM) | |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | dithiothreitol | 8 (mM) | |
| 6 | 1 | drop | protein | 8 (mg/ml) |
