4BTE
DJ-1 Cu(I) complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-07-04 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.257, 75.257, 75.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.640 - 1.380 |
| R-factor | 0.11996 |
| Rwork | 0.118 |
| R-free | 0.14981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pdv |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.183 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.200 | 1.400 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 46017 | |
| <I/σ(I)> | 34.8 | 3.1 |
| Completeness [%] | 89.5 | 15.2 |
| Redundancy | 28.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
