8SSV
Crystal structure of Grp94 N-terminal domain bound to the purine inhibitor PU-H71.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.902, 65.429, 75.376 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 75.070 - 1.720 |
| R-factor | 0.2111 |
| Rwork | 0.209 |
| R-free | 0.25160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.915 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.070 | 1.930 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.821 | |
| Rpim | 0.051 | |
| Number of reflections | 23864 | 1193 |
| <I/σ(I)> | 8.9 | 1.8 |
| Completeness [%] | 91.3 | 66.6 |
| Redundancy | 5.3 | 5.2 |
| CC(1/2) | 0.997 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 400, Calcium acetate, HEPES |
