8ZIH

Crystal structure of the methyltransferase PsiM in complex with SAH

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	2023-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 2
Unit cell lengths	56.351, 134.479, 39.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.360 - 1.310
R-factor	0.1667
Rwork	0.166
R-free	0.18490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8zie
RMSD bond length	0.006
RMSD bond angle	1.036
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.790	1.380
High resolution limit [Å]	1.310	1.310
Rmerge	0.064	0.344
Rmeas	0.068	0.407
Rpim	0.022	0.211
Number of reflections	67276	6412
<I/σ(I)>	19.5	3.1
Completeness [%]	92.1	62.1
Redundancy	8.7	3.3
CC(1/2)	0.999	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2 M Potassium phosphate (dibasic)/0.8M Sodium phosphate (monobasic), 0.1M Sodium acetate/Acetic acid pH 4.5