8TJJ

SAM-dependent methyltransferase RedM bound to SAM

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	2017-03-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	113.860, 58.780, 113.920
Unit cell angles	90.00, 103.11, 90.00

Refinement procedure

Resolution	45.640 - 1.820
R-factor	0.1775
Rwork	0.175
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.766
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.200	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.146	1.215
Rmeas	0.159	1.316
Rpim	0.061	0.501
Number of reflections	125933	6228
<I/σ(I)>	9.5
Completeness [%]	95.9	96.7
Redundancy	6.5	6.7
CC(1/2)	0.997	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2-0.3 M ammonium sulphate, 0.1 M MES pH 6.5, 18-24 % PEG MME 5000, 13-16 mg.mL RedM