8ZIE

Crystal structure of the methyltransferase PsiM in its apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	42.627, 42.627, 260.958
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.920 - 1.600
R-factor	0.1998
Rwork	0.199
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.985
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	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.087	1.089
Rmeas	0.090	1.118
Rpim	0.021	0.253
Number of reflections	38011	5426
<I/σ(I)>	18	3
Completeness [%]	100.0	100
Redundancy	18.5	19.2
CC(1/2)	0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Magnesium chloride, 0.1 M Tris pH 8.5, 30% w/v PEG 4,000