9ETO
PsiK from Psilocybe cubensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-01 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.820, 70.140, 118.900 |
| Unit cell angles | 90.00, 95.84, 90.00 |
Refinement procedure
| Resolution | 43.108 - 2.540 |
| Rwork | 0.197 |
| R-free | 0.24330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS (20220110) |
| Data scaling software | XSCALE (20230630) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.108 | 2.610 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.275 | 2.641 |
| Rmeas | 0.299 | 2.859 |
| Number of reflections | 30400 | 2240 |
| <I/σ(I)> | 6.39 | 0.91 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.63 | 6.85 |
| CC(1/2) | 0.991 | 0.350 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100 mM HEPES pH 7.5, 2 M ammonium sulfate, 2% PEG 550 MME |
