5CRW
Crystal structure of the b'-a' domain of oxidized protein disulfide isomerase complexed with alpha-synuclein peptide (31-41)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.90000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.753, 62.510, 68.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wt2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.067 | 0.389 |
| Number of reflections | 32430 | |
| <I/σ(I)> | 50 | 10.3 |
| Completeness [%] | 95.6 | 97.1 |
| Redundancy | 6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 3350, 0.1 M HEPES buffer (pH 7.5) |
