4Z1O

Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus in complex with alpha-phosphoribosylpyrophosphoric acid (PRPP) and Magnesium

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	P 41 21 2
Unit cell lengths	73.784, 73.784, 142.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.136 - 2.150
R-factor	0.1932
Rwork	0.189
R-free	0.27870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vdm
RMSD bond length	0.008
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.280
High resolution limit [Å]	2.150	6.390	2.150
Rmerge	0.185	0.093	0.867
Rmeas	0.191	0.096	0.891
Total number of observations	411125
Number of reflections	22230	967	3433
<I/σ(I)>	12.35	27.03	3.12
Completeness [%]	99.6	99.2	98.1
Redundancy	18.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES, 15% PEG3350