5KNX

Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with {[(2-[(Hypoxanthin-9H-yl)methyl]propane-1,3-diyl)bis(oxy)]bis- (methylene)}diphosphonic Acid

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	2012-08-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	85.380, 85.380, 167.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.825 - 2.400
R-factor	0.1837
Rwork	0.182
R-free	0.22100
RMSD bond length	0.012
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	83.740
High resolution limit [Å]	2.400
Number of reflections	28426
<I/σ(I)>	12.8
Completeness [%]	100.0
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M HEPES pH 7.5 and 0.1 M sodium citrate