4OWS

Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 4-methylanthranilate, 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)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	79.726, 91.780, 120.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.030 - 2.430
R-factor	0.1811
Rwork	0.179
R-free	0.22730
RMSD bond length	0.011
RMSD bond angle	1.469
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]	120.567	120.567	2.560
High resolution limit [Å]	2.426	7.670	2.430
Rmerge		0.024	0.495
Rmeas	0.102
Rpim	0.037	0.011	0.209
Total number of observations	247716	7987	36407
Number of reflections	34257
<I/σ(I)>	17.6	50.4	3.9
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.6	7.4

Crystallization Conditions

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