6APU

Crystal structure of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltranferase in complex with (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid

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	CCD
Collection date	2015-12-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.95369
Spacegroup name	P 2 2 21
Unit cell lengths	94.883, 108.890, 44.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.493 - 1.842
R-factor	0.1522
Rwork	0.150
R-free	0.19060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jsq
RMSD bond length	0.020
RMSD bond angle	1.596
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.440	1.880
High resolution limit [Å]	1.840	1.840
Rpim	0.066	0.371
Number of reflections	41021	2386
<I/σ(I)>	12.4	2.4
Completeness [%]	99.6	96
Redundancy	7.1	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	25% PEG 3350, 0.2 M lithium sulfate and 0.1 M Bis-Tris