4OWM

Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 3-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)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	79.274, 91.990, 120.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.210 - 1.990
R-factor	0.1725
Rwork	0.170
R-free	0.21280
RMSD bond length	0.010
RMSD bond angle	1.454
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]	120.892	120.892	2.100
High resolution limit [Å]	1.990	6.300	1.990
Rmerge		0.032	0.485
Rmeas	0.105
Rpim	0.046	0.017	0.255
Total number of observations	245631	7850	35889
Number of reflections	52873
<I/σ(I)>	12.2	32.1	2.8
Completeness [%]	86.9	79.2	90
Redundancy	4.6	4.7	4.5

Crystallization Conditions

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