1FJX

STRUCTURE OF TERNARY COMPLEX OF HHAI METHYLTRANSFERASE MUTANT (T250G) IN COMPLEX WITH DNA AND ADOHCY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	298
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	H 3 2
Unit cell lengths	98.460, 98.460, 323.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.260
R-factor	0.207 *
Rwork	0.207
R-free	0.28300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.260	2.260
Rmerge	0.056	0.288
Total number of observations	67597 *
Number of reflections	24152 *
<I/σ(I)>	13.2
Completeness [%]	82.9	32.7
Redundancy	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.6	289	2.7 M ammonium sulfate 20% (w/v) glucose 50 mM sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 16K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	2.7 (M)
2	1	drop	glucose	20 (%(w/v))
3	1	drop	sodium citrate	50 (mM)