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 |