8C45

PglX methyltransferase from the Salmonella BREX phage defence system (aka BrxX)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	138.539, 138.539, 407.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.720 - 3.500
R-factor	0.2661
Rwork	0.265
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.911
Data reduction software	xia2.multiplex
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.650	3.500
High resolution limit [Å]	3.400	3.400
Rmerge	0.047	1.515
Rmeas	0.067	2.142
Number of reflections	55797	4461
<I/σ(I)>	8
Completeness [%]	99.9	99.4
Redundancy	1.9	1.9
CC(1/2)	0.999	0.214

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	15% PEG 3000 MME 0.1 M Tris pH 7.5 0.1 M Magnesium chloride