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