6BO7

Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine

Replaces:  5HHU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9
Spacegroup name	P 2 21 21
Unit cell lengths	55.784, 219.854, 254.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.168 - 2.856
R-factor	0.2311
Rwork	0.230
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.835
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.168	2.900
High resolution limit [Å]	2.850	2.850
Number of reflections	73747	3627
<I/σ(I)>	20.6
Completeness [%]	99.7	99.6
Redundancy	5.2	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	0.3 M potassium thiocyanate, 0.1 M Bis-tris propane, pH 8.5.