4N93

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)	0.95369
Spacegroup name	P 21 21 21
Unit cell lengths	79.572, 92.161, 121.424
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.410 - 2.030
R-factor	0.1813
Rwork	0.179
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.462
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]	121.424	121.424	2.140
High resolution limit [Å]	2.030	6.430	2.030
Rmerge	0.105	0.027	0.495
Total number of observations		13787	61510
Number of reflections	58284
<I/σ(I)>	17.2	22	1.5
Completeness [%]	100.0	100	100
Redundancy	7.3	6.8	7.3

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