6BA7

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	120
Detector technology	CCD
Collection date	2012-02-01
Detector	BRUKER SMART 6000
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	79.673, 79.673, 226.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.212 - 2.496
R-factor	0.2525
Rwork	0.250
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.002
RMSD bond angle	0.545
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.490
Rmerge	0.248
Number of reflections	22429
<I/σ(I)>	10
Completeness [%]	83.8
Redundancy	5.8

Crystallization Conditions

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