8URK

Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979338
Spacegroup name	I 41
Unit cell lengths	137.728, 137.728, 167.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 2.110
R-factor	0.1864
Rwork	0.184
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.841
Data reduction software	XDS (Jan 10, 2022 (BUILT 20220110))
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX ((1.20rc3_4406: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	97.390	2.380
High resolution limit [Å]	2.110	2.110
Rmerge	0.101	0.952
Number of reflections	49313	2466
<I/σ(I)>	9.2	1.7
Completeness [%]	94.6	85
Redundancy	4.7
CC(1/2)	0.998	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	0.10% w/v n-Octyl-beta-D-glucoside, 0.1 M Sodium citrate tribasic dihydrate pH 5.5, and 22% w/v Polyethylene glycol 3350