4WNB

Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis bound to 3-OPC-CoA

Replaces:  4W7B

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	2013-06-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 61 2 2
Unit cell lengths	51.882, 51.882, 436.235
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.700 - 1.760
R-factor	0.2176
Rwork	0.216
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.148
Data scaling software	XDS (autoPROC)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.700	1.800
High resolution limit [Å]	1.760	1.760
Rmerge		0.605
Number of reflections	40369
<I/σ(I)>	18.8	3.6
Completeness [%]	100.0	100
Redundancy	8	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20 mM CaCl2, 20 mM CdCl2, 20mM CoCl2, 20 mM NaCl, 25% PEG3350