6AXB

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	120
Detector technology	PIXEL
Collection date	2007-11-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	79.941, 79.941, 225.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.152 - 1.800
R-factor	0.2028
Rwork	0.200
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.007
RMSD bond angle	0.852
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.180	2.858
Number of reflections	66439	1669
<I/σ(I)>	4.7
Completeness [%]	92.5
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG3350, MgCl2, TRIS-HCl