5KNU

Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with 9-[N,N-(Bis-3-phosphonopropyl)aminomethyl]-9-deazahypoxanthine

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	2013-02-16
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	84.975, 84.975, 167.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.518 - 2.808
R-factor	0.1804
Rwork	0.176
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g9s
RMSD bond length	0.005
RMSD bond angle	0.636
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]	44.520
High resolution limit [Å]	2.808
Rmerge	0.119
Number of reflections	17700
<I/σ(I)>	0.997
Completeness [%]	99.5
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