4X58

Anthranilate phosphoribosyl transferase variant N138A 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	2011-11-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95369
Spacegroup name	C 1 2 1
Unit cell lengths	94.739, 78.067, 101.331
Unit cell angles	90.00, 111.30, 90.00

Refinement procedure

Resolution	94.410 - 1.750
R-factor	0.1967
Rwork	0.195
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qr9
RMSD bond length	0.006
RMSD bond angle	1.161
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]	94.410	94.410	1.790
High resolution limit [Å]	1.750	8.750	1.750
Rmerge	0.134	0.062	1.313
Rpim	0.045	0.021	0.439
Total number of observations	671321	5403	39114
Number of reflections	69172
<I/σ(I)>	12.7	32.6	1.8
Completeness [%]	99.8	99.8	99.4
Redundancy	9.7	9.2	9.8
CC(1/2)	0.997	0.998	0.677

Crystallization Conditions

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