3HEM

Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	106.857, 106.857, 224.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.261 - 2.390
Rwork	0.243
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.643
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.390
Number of reflections	23172

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K