6C7B

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid

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	2008-07-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	78.647, 78.647, 224.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.811 - 2.133
R-factor	0.1905
Rwork	0.188
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.007
RMSD bond angle	0.928
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]	74.210	2.130
High resolution limit [Å]	2.130	2.000
Number of reflections	40197
<I/σ(I)>	4.7
Completeness [%]	99.2
Redundancy	5.3

Crystallization Conditions

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