8CPQ
Crystal structure of human protein disulfide isomerase PDIA6 domain b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00003 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.384, 96.855, 63.321 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.370 - 1.800 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.21150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.721 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.370 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.193 | 1.893 |
| Rmeas | 0.203 | 1.995 |
| Rpim | 0.062 | 0.623 |
| Number of reflections | 16704 | 1638 |
| <I/σ(I)> | 10.5 | 1.4 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.2 | 10 |
| CC(1/2) | 0.998 | 0.637 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.9M (NH4)2SO4, 0.1M Hepes 7.0, 1% DMSO |
