6AFJ
DJ-1 with compound 13
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 | 75.140, 75.140, 75.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.700 - 1.480 |
R-factor | 0.14073 |
Rwork | 0.139 |
R-free | 0.17168 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1soa |
RMSD bond length | 0.013 |
RMSD bond angle | 1.664 |
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] | 33.700 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.079 | 0.797 |
Number of reflections | 41703 | |
<I/σ(I)> | 13.5 | 2.2 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7 | 6.6 |
CC(1/2) | 0.998 | 0.749 |
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 |