8FTV

SgvM methyltransferase triple variant (M144V/F329V/T331A) with SAH and 2-oxo-4-phenylbutanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2021-10-16
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	67.626, 67.626, 185.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.040
R-factor	0.20904
Rwork	0.207
R-free	0.25627
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.259
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	2.043
High resolution limit [Å]	2.036	2.036
Rmerge	0.072	1.650
Number of reflections	28470	6921
<I/σ(I)>	27.2
Completeness [%]	100.0
Redundancy	26.3
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	PEG 3350 pH 7.5