1F61

CRYSTAL STRUCTURE OF ISOCITRATE LYASE 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	1999-04-13
Detector	ADSC QUANTUM 1
Spacegroup name	P 65 2 2
Unit cell lengths	130.245, 130.245, 288.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.165
Rwork	0.165
R-free	0.19100
RMSD bond length	0.015
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.076	0.370
Total number of observations	1082279 *
Number of reflections	97699
<I/σ(I)>	12.5
Completeness [%]	99.8	100
Redundancy	11.08	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	289	sodium citrate, HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	Vapor diffusion *	8	289	sodium citrate, HEPES, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	0.1 (M)
2	1	reservoir	sodium acetate	0.2 (M)
3	1	reservoir	PEG4000	20-30 (%(w/v))