8MHT

CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	293
Detector technology	IMAGE PLATE
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	23.100 - 2.760
Rwork	0.174
Structure solution method	OTHER
Starting model (for MR)	5mht
RMSD bond length	0.011
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	23.100
High resolution limit [Å]	2.760
Rmerge	0.095
Total number of observations	42797 *
Number of reflections	13839
<I/σ(I)>	13.2
Completeness [%]	85.2
Redundancy	3.09

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.25 *	16 *	1.4-1.8 M AMMONIUM SULFATE 50 MM CITRATE PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.3-1.7 (M)
2	1	1	sodium citrate	50 (mM)
3	1	2	protein	10 (mg/ml)
4	1	2		50 (mM)
5	1	2	Tris-HCl	20 (mM)
6	1	2		100 (mM)
7	1	2	Na2EDTA	1 (mM)
8	1	2	2-mercaptoethanol	0.1 (%)
9	1	2	AdoHcy