4P35
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.130, 75.130, 75.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.600 - 1.750 |
| R-factor | 0.14279 |
| Rwork | 0.142 |
| R-free | 0.17132 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1soa |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.734 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.060 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.094 | 0.498 |
| Number of reflections | 25307 | |
| <I/σ(I)> | 18.5 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.6 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM TRIS 20% (v:v) PEG-400 Co-crystal with 500 uM Zn(II) |
