6E5Z
Crystal structure of human DJ-1 with a natural 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 | 2014-07-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 74.715, 74.715, 74.807 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.400 - 1.350 |
| R-factor | 0.1133 |
| Rwork | 0.112 |
| R-free | 0.13880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p5f |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.528 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.370 |
| High resolution limit [Å] | 1.350 | 3.660 | 1.350 |
| Rmerge | 0.055 | 0.026 | 1.202 |
| Rmeas | 0.058 | 0.027 | 1.264 |
| Rpim | 0.018 | 0.008 | 0.387 |
| Total number of observations | 581842 | ||
| Number of reflections | 53266 | 2754 | 2666 |
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 99.8 | 96.4 | 100 |
| Redundancy | 10.9 | 10.1 | 10.6 |
| CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES-Na, 1.5M Tri-sodium citrate dihydrate pH=7.5 |
