7QW7

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	293
Detector technology	PIXEL
Collection date	2014-12-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97951
Spacegroup name	P 61
Unit cell lengths	88.010, 88.010, 155.481
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.010 - 2.600
R-factor	0.1991
Rwork	0.198
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qw5
RMSD bond length	0.008
RMSD bond angle	0.894
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]	44.010	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.113	2.317
Rmeas	0.130	2.683
Rpim	0.063	1.325
Number of reflections	19732	2101
<I/σ(I)>	5.1	0.7
Completeness [%]	94.1	82.4
Redundancy	4.2	4.1
CC(1/2)	0.927	0.189

Crystallization Conditions

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