4OWQ

Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 3-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	79.351, 92.268, 121.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.520 - 1.890
R-factor	0.169
Rwork	0.168
R-free	0.19190
RMSD bond length	0.009
RMSD bond angle	1.479
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]	121.681	121.681	2.000
High resolution limit [Å]	1.890	5.990	1.890
Rmerge		0.032	0.480
Rmeas	0.084
Rpim	0.031	0.014	0.211
Total number of observations	519744	16955	72989
Number of reflections	71647
<I/σ(I)>	17.8	44.3	3.5
Completeness [%]	100.0	99.9	100
Redundancy	7.3	6.8	7.1

Crystallization Conditions

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