1PE0
Crystal structure of the K130R mutant of human DJ-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9724 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.706, 78.173, 63.819 |
| Unit cell angles | 90.00, 108.88, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.700 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 22.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.264 |
| Total number of observations | 112333 * | |
| Number of reflections | 39841 | |
| Completeness [%] | 97.8 | 82.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 4 * | 20% PEG3350, 100 mM Bis-tris(7.0), 50 mM CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris | 100 (mM) | pH8.0 |
| 2 | 1 | reservoir | PEG3350 | 10-12 (%(w/v)) | |
| 3 | 1 | drop | protein | 15 (mg/ml) | |
| 4 | 1 | drop | Tris | 30 (mM) | pH8.0 |
