9C3U

Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTTTAC as recognition sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-03
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	32.760 - 2.770
R-factor	0.2293
Rwork	0.227
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.766
Data reduction software	XDS (Jun 30, 2023 (BUILT 20230630))
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]	32.760	3.066
High resolution limit [Å]	2.760	2.760
Rmerge	0.147	1.187
Number of reflections	26041	1303
<I/σ(I)>	6.9	1.5
Completeness [%]	89.4
Redundancy	4.7
CC(1/2)	0.996	0.460

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