8QXQ
PsiM in complex with SAH and psilocybin
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 | 2023-06-29 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 0.7293 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.342, 78.521, 83.925 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.440 - 0.940 |
R-factor | 0.1367 |
Rwork | 0.137 |
R-free | 0.14940 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.013 |
RMSD bond angle | 1.323 |
Data reduction software | xia2 (3.12.0) |
Data scaling software | xia2 (3.12.0) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.440 | 0.974 |
High resolution limit [Å] | 0.940 | 0.940 |
Rmerge | 0.108 | 4.584 |
Rmeas | 0.110 | 4.673 |
Rpim | 0.021 | 0.898 |
Number of reflections | 211345 | 20765 |
<I/σ(I)> | 13.36 | 0.53 |
Completeness [%] | 99.8 | 99.16 |
Redundancy | 26.8 | 26.9 |
CC(1/2) | 0.998 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris/HCl pH 8.5, 20% PEG 8000, 200 mM MgCl2 |