5BQO

Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus with sulfate bound in the 5-phosphoribosyl 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	2010-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	C 2 2 21
Unit cell lengths	100.946, 175.366, 151.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.991 - 2.394
R-factor	0.1944
Rwork	0.191
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zfn
RMSD bond length	0.002
RMSD bond angle	0.586
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		2.540
High resolution limit [Å]	2.390	7.110	2.390
Rmerge	0.151	0.077	0.778
Rmeas	0.160	0.082	0.826
Total number of observations	464194
Number of reflections	52739	2166	8018
<I/σ(I)>	9.49	21.18	1.93
Completeness [%]	99.0	98.5	94
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	298	0.8 M ammonium sulfate, 0.1 M citric acid