7QW6

Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 61
Unit cell lengths	87.721, 87.721, 156.093
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.930 - 2.400
R-factor	0.1773
Rwork	0.176
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qw5
RMSD bond length	0.006
RMSD bond angle	0.686
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.030	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.110	0.999
Rmeas	0.120
Rpim	0.048	0.431
Number of reflections	24491	2662
<I/σ(I)>	7.8	1.4
Completeness [%]	92.4	94.9
Redundancy	5.3	5.3
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	Glycerol ethoxylate, Tris-HCl, paraffin oil