8GDY
Crystal structure of the human PDI first domain with 9 mutations
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.706, 61.303, 68.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.700 - 2.050 |
| R-factor | 0.1972 |
| Rwork | 0.192 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.795 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.560 | 1.930 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.238 | 2.148 |
| Number of reflections | 20332 | 1062 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 98.8 | 82.2 |
| Redundancy | 12.8 | 10.4 |
| CC(1/2) | 0.993 | 0.457 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 277 | 0.1 M potassium thiocyanate, 0.1 M MES, and 24% (w/v) PEG 20k |
