1N8W

Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-12-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	120.985, 120.985, 232.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.700
R-factor	0.2002
Rwork	0.190
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.186
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.700 *	2.600
Rmerge	0.057 *	0.330 *
Total number of observations	397417 *
Number of reflections	51936
Completeness [%]	96.2	95.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	292	Ammonium Sulphate, MES pH 6.5, Dioxane, magnesium chloride, acetyl coenzyme A, glyoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	drop	acetyl-CoA	2 (mM)
3	1	drop	glyoxylate	2 (mM)
4	1	drop	Tris-HCl	20 (mM)	pH8.0
5	1	reservoir	ammonium sulfate	1.6 (M)
6	1	reservoir	MES	0.1 (M)	pH6.5
7	1	reservoir	dioxane	10 (%)