4OTK

A structural characterization of the isoniazid Mycobacterium tuberculosis drug target, Rv2971, in its unliganded form

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	2012-08-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 32 2 1
Unit cell lengths	86.270, 86.270, 86.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.580 - 1.600
R-factor	0.1468
Rwork	0.146
R-free	0.16850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wzt
RMSD bond length	0.006
RMSD bond angle	1.045
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.580	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	49368
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	0.2M Na-Malonate pH 5.0, 19% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K