7SCR

Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine 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)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	61.253, 107.298, 117.165
Unit cell angles	90.00, 96.76, 90.00

Refinement procedure

Resolution	46.400 - 2.121
R-factor	0.222445612984
Rwork	0.221
R-free	0.26673
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mxc
RMSD bond length	0.002
RMSD bond angle	0.628
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.410	2.230
High resolution limit [Å]	2.110	2.120
Number of reflections	83246	9413
<I/σ(I)>	10.5
Completeness [%]	96.9	80.2
Redundancy	7.2	6.5
CC(1/2)	0.970	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Bis-Tris propane, 0.2 M lithium sulfate, 17.5% PEG3350