3E5B

2.4 A crystal structure of isocitrate lyase from brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	77.255, 137.209, 182.448
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.370
R-factor	0.209
Rwork	0.207
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.203
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.370	5.170	2.400
Rmerge	0.119	0.087	0.783
Number of reflections	77975
Completeness [%]	99.6	99.5	99.4
Redundancy	7.1	7.2	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	289	30% PEG 4000, 0.1M TRIS pH 8.5, 0.2M LITHIUM SULFATE, VAPOR DIFFUSION, temperature 289K