3EOL

2.0A crystal structure of isocitrate lyase from Brucella melitensis (P43212)

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	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	79.702, 79.702, 281.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.223
Rwork	0.221
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.200
Data scaling software	d*TREK (9.7L)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.840	39.840	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.156	0.067	0.625
Total number of observations		37248	47498
Number of reflections	62451
<I/σ(I)>		16	2.1
Completeness [%]	99.9	99.4	100
Redundancy	6.64	5.4	7.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	20% PEG 8000, 0.05M KH2PO4, VAPOR DIFFUSION, temperature 289K