4RKP

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

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	2013-10-25
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	150.490, 62.490, 103.190
Unit cell angles	90.00, 123.72, 90.00

Refinement procedure

Resolution	62.588 - 2.100
R-factor	0.1835
Rwork	0.182
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fi4
RMSD bond length	0.008
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.590	62.590	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.115	0.025	0.935
Number of reflections	54102
<I/σ(I)>	14.5	54.55	2.32
Completeness [%]	99.7	97.9	99.8
Redundancy	7.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	ProComplex condition 68, (Qiagen Cat No. 135468A) 0.1 M Sodium Acetate, pH 5.0, 1.0 M Ammonium Sulfate (2:1 Protein:Reservoir ratio), VAPOR DIFFUSION, HANGING DROP, temperature 298K