8TJK

SAM-dependent methyltransferase RedM bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	61.833, 71.902, 144.841
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.050 - 1.850
R-factor	0.1981
Rwork	0.197
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.748
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.050	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.068	1.703
Rmeas	0.070	1.772
Rpim	0.019	0.485
Number of reflections	55780	3356
<I/σ(I)>	15.4	1.2
Completeness [%]	99.7	98.4
Redundancy	13.1	13.1
CC(1/2)	0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.09 M ammonium sulphate, 0.05 M BisTris-HCl pH 6.5, 30 % pentaerythritol ethoxylate (15/4_EO/OH)