1K3R

Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-09
Detector	CUSTOM-MADE
Wavelength(s)	0.97918, 0.97931, 1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	101.307, 51.353, 109.250
Unit cell angles	90.00, 94.69, 90.00

Refinement procedure

Resolution	100.000 * - 2.300
R-factor	0.221 *
Rwork	0.221
R-free	0.27700 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.542
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.074 *	0.421 *
Total number of observations	161118 *
Number of reflections	25125
Completeness [%]	99.4	96.6 *
Redundancy	6.36 *	4.23 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	23 *	30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K
1	Vapor diffusion *	6.5	23 *	30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K
1	Vapor diffusion *	6.5	23 *	30% Jeffamine M-600, 0.1 M MES, 0.05M CsCl, 4% polypropylene glycol 400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.7 (mg/ml)
2	1	drop	Jeffamine M-600	15 (%(v/v))
3	1	drop	MES	50 (mM)	pH6.5
4	1	drop		25 (mM)
5	1	reservoir	Jeffamine M-600	30 (%(v/v))
6	1	reservoir	MES	100 (mM)	pH6.5
7	1	reservoir		50 (mM)