4RKZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9789
Spacegroup name	C 1 2 1
Unit cell lengths	146.370, 61.060, 103.550
Unit cell angles	90.00, 122.95, 90.00

Refinement procedure

Resolution	86.891 - 2.300
R-factor	0.2063
Rwork	0.202
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rkp
RMSD bond length	0.003
RMSD bond angle	0.672
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1555)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.891	54.430	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.068	0.056	0.630
Number of reflections	34215
<I/σ(I)>	15.04	33.7	3.18
Completeness [%]	99.2	98.4	99.4
Redundancy	6.7

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 5 mM mevalonate 3-phosphate and ADP generated enzymatically, vapor diffusion, hanging drop, temperature 298K