1N8I

Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-20
Detector	CUSTOM-MADE
Wavelength(s)	1.033
Spacegroup name	P 43 21 2
Unit cell lengths	78.095, 78.095, 223.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.1853
Rwork	0.185
R-free	0.23100 *
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.270 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.103 *	0.280 *
Total number of observations	141203 *
Number of reflections	39261
Completeness [%]	95.2 *	85.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	17 *	PEG 4000, MAGNESIUM CHLORIDE,Tris-HCl pH 8.5, MICROBATCH, temperature 292K
1	Batch method *	8.5	17 *	PEG 4000, MAGNESIUM CHLORIDE,Tris-HCl pH 8.5, MICROBATCH, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	3-5 (mg/ml)
2	1	1	PEG4000	15 (%(w/v))
3	1	1	Tris-HCl	0.05 (M)	pH8.5
4	1	1		0.05 (M)