4N8Q

Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase

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)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	79.587, 90.998, 120.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.520 - 2.080
R-factor	0.1991
Rwork	0.197
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qr9
RMSD bond length	0.015
RMSD bond angle	1.476
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.039	120.039	2.200
High resolution limit [Å]	2.080	6.590	2.080
Rmerge	0.077	0.033	0.482
Total number of observations		12265	55858
Number of reflections	52823
<I/σ(I)>	17.2	15.8	1.5
Completeness [%]	100.0	99.8	100
Redundancy	7.2	6.7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.1 M imidazole/malate, 7.5% PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K