9GR7
PsiM in complex with sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-15 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.6888 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.963, 78.370, 83.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.110 - 1.040 |
| R-factor | 0.1464 |
| Rwork | 0.145 |
| R-free | 0.16410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.204 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.110 | 1.077 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.055 | 1.249 |
| Rmeas | 0.057 | |
| Rpim | 0.016 | 0.363 |
| Number of reflections | 305456 | 15631 |
| <I/σ(I)> | 18.22 | 1.71 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.999 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 20% PEG 8000, 200 mM MgCl2, 2.1 mM psilocybin, 100 mM Tris pH 8.5 |
