4X5B

Anthranilate phosphoribosyltransferase variant R193L from Mycobacterium tuberculosis in complex with PRPP and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2012-12-03
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	94.420, 78.130, 100.430
Unit cell angles	90.00, 110.53, 90.00

Refinement procedure

Resolution	39.990 - 2.470
R-factor	0.2129
Rwork	0.210
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qr9
RMSD bond length	0.005
RMSD bond angle	1.165
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.990	39.990	2.590
High resolution limit [Å]	2.470	8.190	2.470
Rmerge	0.186	0.042	1.081
Rpim	0.093	0.021	0.542
Total number of observations	121456	3557	16357
Number of reflections	24299
<I/σ(I)>	7.5	20.5	1.9
Completeness [%]	98.8	97.8	98.9
Redundancy	5	5.1	5.1
CC(1/2)	0.988	0.998	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	imidazole malate, PEG 4000