5CC6

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-5-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	76.834, 76.834, 220.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 2.100
Rwork	0.176
R-free	0.23370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP (CCP4 6.5)
Refinement software	REFMAC (CCP4 6.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.660	2.200
High resolution limit [Å]	2.090	2.090
Number of reflections	39223
<I/σ(I)>	26.22
Completeness [%]	98.1	98.1
Redundancy	10.1	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	PEG 3350, magnesium chloride, tris