4RHT

Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	56.417, 85.580, 156.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.103 - 2.763
R-factor	0.2308
Rwork	0.225
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.737
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.103	47.100
High resolution limit [Å]	2.760	2.760
Number of reflections	20023
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	20% PEG8000, 0.1 M Tris-HCl pH8.5, 0.2 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 291K