4JN6

Crystal Structure of the Aldolase-Dehydrogenase Complex from Mycobacterium tuberculosis HRv37

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	69.690, 142.690, 148.170
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	45.889 - 1.930
R-factor	0.1757
Rwork	0.174
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology model based on 1NVM
RMSD bond length	0.006
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.900	1.980
High resolution limit [Å]	1.930	1.930
Number of reflections	105918
Completeness [%]	98.1	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	18% PEG 4000, 0.2 M Magnesium chloride, 0.1 M Tris, 10% glycerol and 10 mM sodium oxalate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K