4OWN

Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-fluoroanthranilate, PRPP and Magnesium

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	2010-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	79.585, 92.313, 120.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.350 - 2.110
R-factor	0.1698
Rwork	0.168
R-free	0.19370
RMSD bond length	0.009
RMSD bond angle	1.441
Data scaling software	SCALA (3.3.15)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.826	120.826	2.220
High resolution limit [Å]	2.109	6.670	2.110
Rmerge		0.025	0.496
Rmeas	0.098
Rpim	0.036	0.011	0.211
Total number of observations	375886	12210	55005
Number of reflections	52044
<I/σ(I)>	17.9	49.7	3.9
Completeness [%]	100.0	100	100
Redundancy	7.2	6.7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	imidazole/malate, PEG 4000