1NW8

Structure of L72P mutant beta class N6-adenine DNA methyltransferase RsrI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-08
Detector	CUSTOM-MADE
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	71.600, 131.380, 67.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.250
R-factor	0.195
Rwork	0.195
R-free	0.24000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.200
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]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.050 *	0.199 *
Number of reflections	13692 *	1146 *
Completeness [%]	90.9	85.5

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