6DLJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2008-10-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.543
Spacegroup name	P 43 21 2
Unit cell lengths	78.759, 78.759, 224.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.887 - 2.604
R-factor	0.1906
Rwork	0.187
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.007
RMSD bond angle	0.900
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	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.235
Number of reflections	21186	756
<I/σ(I)>	4.4
Completeness [%]	93.7	67.8
Redundancy	15	10.5

Crystallization Conditions

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