8C56

CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 41 21 2
Unit cell lengths	84.259, 84.259, 173.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 2.400
R-factor	0.17535
Rwork	0.173
R-free	0.21625
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dkj
RMSD bond length	0.009
RMSD bond angle	1.006
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.540
High resolution limit [Å]	2.400	2.400
Rmeas	0.121	1.277
Number of reflections	25251	3914
<I/σ(I)>	16.89	2.05
Completeness [%]	99.6	99
Redundancy	8.6	8.8
CC(1/2)	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	10% PEG 3350, 150 mM NaCl, 50 mM sodium citrate (final pH, 5.6). For cryoprotection glycerol was added to 25% v/v