4N0M
Crystal structure of human C53A DJ-1 in complex with Cu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.378 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.140, 75.140, 75.271 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.580 - 1.950 |
R-factor | 0.15 |
Rwork | 0.149 |
R-free | 0.17500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.222 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX ((autoMR)) |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.630 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.114 | 0.351 |
Number of reflections | 18268 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.2 M Sodium Malonate, 20% w/v PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |