1NW6

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

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	70.428, 130.070, 67.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 * - 1.940
R-factor	0.22
Rwork	0.220
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg2
RMSD bond length	0.007
RMSD bond angle	1.200
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.038 *	0.167 *
Total number of observations	78952 *
Number of reflections	23268	2292 *
<I/σ(I)>	22.5	6.5
Completeness [%]	99.8	99.8

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