2HR1

Ternary structure of WT M.HhaI C5-Cytosine DNA methyltransferase with unmodified DNA and AdoHcy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	98.720, 98.720, 322.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	2.010 - 1.960
R-factor	0.39
Rwork	0.238
R-free	0.26900
Structure solution method	Simulation Annealling
RMSD bond length	0.006
RMSD bond angle	1.250
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.050	1.850
High resolution limit [Å]	1.800	1.800
Number of reflections	51122
Completeness [%]	90.9	72.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	Ammonium Sulfate 15%, Sodium Citrate 100 mM, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Ammonium Sulfate
2	1	1	Sodium Citrate
3	1	1	H2O
4	1	2	Ammonium Sulfate
5	1	2	Sodium Citrate