5BQP

Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus with xanthosine and phosphate bound in the nucleotide binding site and with sulfate bound in the pyrophosphate binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9771
Spacegroup name	P 32 2 1
Unit cell lengths	132.218, 132.218, 103.102
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.007 - 1.700
R-factor	0.1635
Rwork	0.162
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.383
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.800
High resolution limit [Å]	1.700	5.070	1.700
Rmerge	0.071	0.027	0.685
Rmeas	0.084	0.033	0.810
Total number of observations	401615
Number of reflections	113561	4443	18203
<I/σ(I)>	13.16	35.79	2.2
Completeness [%]	99.5	98.1	99.3
Redundancy	3.54		3.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	3.15 M ammonium sulfate, 0.1 M citric acid