8ZIO

Crystal structure of the methyltransferase PsiM in complex with SAH and Psilocybin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 2 21 21
Unit cell lengths	39.410, 56.480, 131.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 1.450
R-factor	0.1622
Rwork	0.161
R-free	0.18190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zie
RMSD bond length	0.005
RMSD bond angle	0.826
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.112	0.730
Rmeas	0.121	0.869
Rpim	0.035	0.351
Number of reflections	53061	2548
<I/σ(I)>	18	2.4
Completeness [%]	99.9	98.6
Redundancy	11.7	6
CC(1/2)	0.999	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium acetate, 0.1 M Sodium cacodylate pH 6.5, 30% w/v PEG 8,000