3TAO

Structure of Mycobacterium tuberculosis triosephosphate isomerase bound to phosphoglycolohydroxamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	134.026, 55.736, 76.941
Unit cell angles	90.00, 104.03, 90.00

Refinement procedure

Resolution	28.882 - 1.450
R-factor	0.1624
Rwork	0.161
R-free	0.18350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.304
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.650	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	94064
Completeness [%]	96.4	86.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	16% PEG3350, 250 mM ammonium citrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K