1KKH

Crystal Structure of the Methanococcus jannaschii Mevalonate Kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	121
Detector technology	CCD
Collection date	2001-03-07
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9611, 0.9792, 0.9794, 0.9919
Spacegroup name	P 1 21 1
Unit cell lengths	56.138, 44.028, 64.845
Unit cell angles	90.00, 102.71, 90.00

Refinement procedure

Resolution	19.900 * - 2.400
R-factor	0.2 *
Rwork	0.200
R-free	0.28000 *
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.622 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000 *	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.061 *	0.126 *
Number of reflections	11633
Completeness [%]	96.2	79.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	16 *	Dioxane, Tris, DTT, magnesium, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.15K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	Tris	5 (mM)
3	1	drop	dithiothreitol	10 (mM)	pH8.0
4	1	reservoir	dioxane	28 (%)
5	1	reservoir	dithiothreitol	10 (mM)