8ZIM

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

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	2023-06-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 2 21 21
Unit cell lengths	39.399, 58.327, 130.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.720 - 1.400
R-factor	0.147
Rwork	0.146
R-free	0.17260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zie
RMSD bond length	0.006
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.048	0.246
Rmeas	0.050	0.256
Rpim	0.014	0.070
Number of reflections	60183	8615
<I/σ(I)>	30.9	9.2
Completeness [%]	100.0	100
Redundancy	12.6	12.9
CC(1/2)	1.000	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M HEPES pH 7.5, 20% w/v Polyethylene glycol 10,000