1NW5

Structure of the beta class N6-adenine DNA methyltransferase RsrI bound to S-ADENOSYLMETHIONINE

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	70.360, 129.060, 67.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.050
Rwork	0.201
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.150 *
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.028 *	0.295 *
Total number of observations	43607 *
Number of reflections	18235	681 *
<I/σ(I)>	16.3	2.3
Completeness [%]	93.2	70.7

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	AdoMet	1-20 (mM)
3	1	reservoir	HEPES	100 (mM)	pH7.4
4	1	reservoir		1.5 (M)