6DL9

Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	120
Detector technology	PIXEL
Collection date	2009-02-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9700
Spacegroup name	P 43 21 2
Unit cell lengths	78.045, 78.045, 223.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.472 - 1.800
R-factor	0.1765
Rwork	0.174
R-free	0.21580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.007
RMSD bond angle	0.856
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.180
Number of reflections	56595	995
<I/σ(I)>	6.3
Completeness [%]	86.9
Redundancy	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 3350, TRIS-HCl, MgCl2