5CC5

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-3-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	79.699, 79.699, 223.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 2.140
Rwork	0.168
R-free	0.21690
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]	44.930	2.250
High resolution limit [Å]	2.140	2.140
Number of reflections	39559
<I/σ(I)>	25.09
Completeness [%]	97.3	82.4
Redundancy	11.9	10.6

Crystallization Conditions

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