6M8Z
Crystal structure of human DJ-1 without a modification on Cys-106
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 66.500, 66.500, 176.728 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.700 - 1.830 |
| R-factor | 0.1718 |
| Rwork | 0.170 |
| R-free | 0.20430 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6e5z |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.164 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
| Rmerge | 0.055 | 0.025 | 1.248 |
| Rmeas | 0.056 | 0.026 | 1.294 |
| Rpim | 0.012 | 0.006 | 0.324 |
| Total number of observations | 423474 | ||
| Number of reflections | 20934 | 1214 | 830 |
| <I/σ(I)> | 11 | ||
| Completeness [%] | 97.8 | 96.4 | 79.3 |
| Redundancy | 20.2 | 17.8 | 15.8 |
| CC(1/2) | 1.000 | 0.596 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 500 nL of protein in 50 mM Tris pH 8.0 and 500 mM NaCl were mixed with 500nL of 0.1M Bis-tris pH 5.5, 0.1M KSCN, and 29% PEG MME 2000 |
