1KVK

The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	277
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	78.630, 118.700, 42.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.000 * - 2.400
R-factor	0.217 *
Rwork	0.217
R-free	0.26600
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.300
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.550	2.490
High resolution limit [Å]	2.400 *	2.400
Rmerge	0.054 *	0.305 *
Total number of observations	30833 *
Number of reflections	14000 *	1011 *
Completeness [%]	86.9	77.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	4 *	Hepes, MgCl2, ATP, PEG-5KMME, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	ATP	1 (mM)
3	1	drop		2 (mM)
4	1	reservoir	HEPES	100 (mM)	pH7.5
5	1	reservoir	PEG5000 MME	17.5 (%)