1NW7

Structure of the beta class N6-adenine DNA methyltransferase RsrI bound to S-ADENOSYL-L-HOMOCYSTEINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	71.169, 130.752, 67.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 * - 2.100
R-factor	0.209
Rwork	0.209
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.150 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.080 *	0.163 *
Total number of observations	54426 *
Number of reflections	18591 *	1844 *
<I/σ(I)>	7	2.2
Completeness [%]	99.1 *	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.4	298	lithium sulfate, HEPES, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.0 (mg/ml)
2	1	reservoir	AdoHcy	1-20 (mM)
3	1	reservoir	HEPES	100 (mM)	pH7.4
4	1	reservoir		1.5 (M)