4RKS

Crystal Structure of Mevalonate-3-Kinase from Thermoplasma acidophilum (Mevalonate Bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-12-06
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	147.990, 61.190, 103.950
Unit cell angles	90.00, 123.22, 90.00

Refinement procedure

Resolution	54.855 - 2.000
R-factor	0.197
Rwork	0.195
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rkp
RMSD bond length	0.007
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.870	54.870	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.069	0.019	0.540
Number of reflections	51669	625	3760
<I/σ(I)>	20.04	61.93	3.57
Completeness [%]	97.7	97.2	97.7
Redundancy	7.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	ProComplex condition 68, (Quiagen Cat No. 135468A) 0.1 M Sodium Acetate, pH 5.0, 1.0 M Ammonium Sulfate (2:1 Protein:Reservoir ratio), soaked in 65 mM (R)-mevalonate (no mother liquor), vapor diffusion, hanging drop, temperature 298K