4OWU

Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-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	79.486, 91.792, 120.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.090 - 1.890
R-factor	0.1653
Rwork	0.164
R-free	0.19550
RMSD bond length	0.009
RMSD bond angle	1.475
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]	120.801	120.801	1.990
High resolution limit [Å]	1.890	5.980	1.890
Rmerge		0.023	0.485
Rmeas	0.075
Rpim	0.028	0.010	0.217
Total number of observations	515254	16980	71492
Number of reflections	71474
<I/σ(I)>	20.6	55.2	3.8
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.8	6.9

Crystallization Conditions

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