5CC7

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-6-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
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	79.661, 79.661, 225.834
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.100 - 2.120
Rwork	0.189
R-free	0.25210
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]	45.100	2.150
High resolution limit [Å]	2.120	2.120
Number of reflections	40595
<I/σ(I)>	24.59
Completeness [%]	96.3	99
Redundancy	7.6	9.8

Crystallization Conditions

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