6FZ6

Crystal Structure of a radical SAM methyltransferase from Sphaerobacter thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 2
Unit cell lengths	131.840, 53.140, 113.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.287 - 1.420
R-factor	0.1671
Rwork	0.166
R-free	0.18710
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.109
Data reduction software	xia2
Data scaling software	xia2
Phasing software	AutoSol
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.010	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.132	2.691
Number of reflections	150914
<I/σ(I)>	9.65	0.95
Completeness [%]	100.0	100
Redundancy	13.07
CC(1/2)	0.997	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.03M Sodium fluoride; 0.03M Sodium bromide; 0.03M Sodium iodide, 0.1 M HEPES/MOPS pH 7.5, 20 % Glycerol, 10% PEG4000