10MH

TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-09-15
Detector	MARRESEARCH
Spacegroup name	H 3 2
Unit cell lengths	99.860, 99.860, 325.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.300 - 2.550
R-factor	0.205
Rwork	0.205
Structure solution method	OTHER
Starting model (for MR)	5mht
RMSD bond length	0.012
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.075	0.275
Total number of observations	51683 *
Number of reflections	15976
<I/σ(I)>	14.9	2.89
Completeness [%]	77.2	50.2
Redundancy	3.23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	16 *	10% (W/V) PEG 8000 50 MM CALCIUM ACETATE 50 MM SODIUM CACODYLATE PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000	10 (%(w/v))
2	1	1	calcium acetate	50 (mM)
3	1	1	sodium cacodylate	50 (mM)