4X5D

Anthranilate phosphoribosyltransferase variant R193A from Mycobacterium tuberculosis with anthranilate bound

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	P 21 21 21
Unit cell lengths	79.950, 91.646, 120.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.770 - 2.300
R-factor	0.1845
Rwork	0.184
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qr9
RMSD bond length	0.010
RMSD bond angle	1.348
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]	120.830	120.830	2.390
High resolution limit [Å]	2.300	8.290	2.300
Rmerge	0.063	0.016	0.510
Rpim	0.017	0.005	0.142
Total number of observations	585858	12014	59601
Number of reflections	40167
<I/σ(I)>	41.7	140.3	6
Completeness [%]	99.9	99.7	99.4
Redundancy	14.6	12.3	13.5
CC(1/2)	1.000	1.000	0.970

Crystallization Conditions

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