6AFC
DJ-1 with compound 4
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 | 2014-11-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 75.430, 75.430, 75.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.800 - 1.450 |
| R-factor | 0.13387 |
| Rwork | 0.133 |
| R-free | 0.16024 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1soa |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.820 |
| Data reduction software | MOSFLM (7.1.0) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.800 | 1.530 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.073 | 0.838 |
| Number of reflections | 44624 | |
| <I/σ(I)> | 14.3 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 5.7 |
| CC(1/2) | 0.998 | 0.634 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 100mM TRIS-HCl, 200mM sodium citrate, 30% PEG-400, 5mM DTT |
