2OR3
Pre-oxidation Complex of Human DJ-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.914, 85.766, 98.829 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.450 - 1.200 |
| Rwork | 0.136 |
| R-free | 0.18250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p5f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.450 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 114729 | |
| <I/σ(I)> | 24.3 | 2.04 |
| Completeness [%] | 97.8 | 96 |
| Redundancy | 5.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 28% PEG 4000, 200 mM ammonium sulfate, 50 mM sodium acetate, 2.5 mM epigallocatechin 3-gallate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
