4X5A

Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis remains ligand-free when co-crystallised 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	2013-05-21
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	94.448, 77.779, 101.932
Unit cell angles	90.00, 111.84, 90.00

Refinement procedure

Resolution	47.350 - 1.930
R-factor	0.2407
Rwork	0.238
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qr9
RMSD bond length	0.011
RMSD bond angle	1.406
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]	47.310	47.310	1.980
High resolution limit [Å]	1.930	8.840	1.930
Rmerge	0.129	0.043	1.663
Rpim	0.067	0.025	0.852
Total number of observations	239508	2258	16877
Number of reflections	50966
<I/σ(I)>	8.2	26.6	0.9
Completeness [%]	99.0	98.7	98.3
Redundancy	4.7	4	4.7
CC(1/2)	0.996	0.996	0.560

Crystallization Conditions

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