8C57

CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.27820
Spacegroup name	P 41 21 2
Unit cell lengths	84.453, 84.453, 172.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 1.950
R-factor	0.16317
Rwork	0.162
R-free	0.19202
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dkj
RMSD bond length	0.005
RMSD bond angle	1.091
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	1.950	1.950
Rmeas	0.043	0.822
Number of reflections	44130	7029
<I/σ(I)>	18.27	1.8
Completeness [%]	95.0	96
Redundancy	3.66	3.58
CC(1/2)	0.999	0.685

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