5SY6
Atomic resolution structure of human DJ-1, DTT bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 75.227, 75.227, 75.227 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.000 - 1.150 |
R-factor | 0.11067 |
Rwork | 0.110 |
R-free | 0.12948 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p5f |
RMSD bond length | 0.013 |
RMSD bond angle | 1.675 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.088 | 1.667 |
Number of reflections | 87636 | |
<I/σ(I)> | 16.3 | 1.7 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 11.1 | 8.4 |
CC(1/2) | 1.000 | 0.614 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 23-27% PEG 3000, 100 mM HEPES, 200 mM NaCl, 10 mM dithiothreitol (DTT) |