7SAN

Crystal structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate

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	PIXEL
Collection date	2020-07-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	74.818, 93.743, 130.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.167 - 2.582
R-factor	0.206998652186
Rwork	0.203
R-free	0.25728
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gep
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.170	2.670
High resolution limit [Å]	2.580	2.580
Number of reflections	29515	2806
<I/σ(I)>	12.66
Completeness [%]	99.6	96.19
Redundancy	11.2	7.5
CC(1/2)	0.970	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1 M Bis-tris propane, pH 7.4, 0.1 M sodium citrate, 17.5% PEG 3350