8TJI

SAM-dependent methyltransferase RedM, apo

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 21 21 21
Unit cell lengths	61.950, 71.610, 145.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.100 - 1.730
R-factor	0.1685
Rwork	0.167
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.682
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]	72.500	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.065	0.241
Rmeas	0.067	0.263
Rpim	0.019	0.101
Number of reflections	67710	3483
<I/σ(I)>	23.6	5.8
Completeness [%]	99.4	95
Redundancy	11.5
CC(1/2)	0.999	0.960

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 % PED MME 5000, 13-16 mg/mL RedM, 1:1 drop ratio, 2-4 uL total