3SF8
Structural insights into thiol stabilization of DJ-1
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-03-03 |
| Detector | RIGAKU RAXIS HTC |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.880, 41.831, 63.344 |
| Unit cell angles | 90.00, 115.79, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.560 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pdv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.421 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.044 | 0.252 |
| Number of reflections | 47218 | |
| <I/σ(I)> | 19.4 | 4.7 |
| Completeness [%] | 93.0 | 82.4 |
| Redundancy | 4.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 45% (v/v) polyproylene glycol 400, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
