7SB7

Crystal structure of T. brucei hypoxanthine guanine phosphoribosyltransferase 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	C 1 2 1
Unit cell lengths	115.908, 93.983, 44.274
Unit cell angles	90.00, 109.13, 90.00

Refinement procedure

Resolution	46.992 - 2.647
R-factor	0.201972691184
Rwork	0.196
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jv5
RMSD bond length	0.002
RMSD bond angle	0.559
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.992	2.742
High resolution limit [Å]	2.647	2.647
Number of reflections	13024	1255
<I/σ(I)>	11.42
Completeness [%]	98.9
Redundancy	7.5
CC(1/2)	0.980	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M zinc acetate, 0.1 M sodium cadodylate, pH 6.5,10% 2-propanol. INDEX screen