4ZFN

Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus containing GMP complexed in two different ways together with one or two MG2+

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)	1.03688
Spacegroup name	P 41 21 2
Unit cell lengths	74.467, 74.467, 143.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.251 - 1.901
R-factor	0.1833
Rwork	0.180
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vdm
RMSD bond length	0.008
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.0)
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.842		2.020
High resolution limit [Å]	1.900	5.650	1.900
Rmerge	0.070	0.028	0.717
Rmeas	0.075	0.030	0.768
Total number of observations	245734
Number of reflections	32529	1370	5147
<I/σ(I)>	19.85	53.07	3.14
Completeness [%]	99.7	97.4	99.4
Redundancy	7.55		7.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	2.0 M ammonium sulfate, 0.1 M BIS-TRIS hydrochloride