4P34
Crystal structure of DJ-1 in sulfenic acid form (fresh crystal)
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 | 2013-04-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.680, 74.680, 75.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.500 - 1.550 |
| R-factor | 0.11525 |
| Rwork | 0.114 |
| R-free | 0.15144 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p2g |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.729 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.670 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.089 | 0.570 |
| Number of reflections | 35524 | |
| <I/σ(I)> | 11 | 2.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 200 mM sodium citrate 30% (v:v) PEG-400 |
