3I4E

Crystal structure of Isocitrate Lyase from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Collection date	2008-06-19
Spacegroup name	P 21 21 21
Unit cell lengths	77.666, 137.025, 160.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 2.690
R-factor	0.216
Rwork	0.213
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igw
RMSD bond length	0.008
RMSD bond angle	1.019
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.800
High resolution limit [Å]	2.690	2.700
Rmerge	0.144	0.660
Number of reflections	48029
<I/σ(I)>	5.8
Completeness [%]	99.7	97.9
Redundancy	6.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.8	293	24% PEG 1500, 100 MM MES, PROTEIN CONCENTRATION 22MG/ML, PH 5.8, VAPOR DIFFUSIONI, SITTING DROP, TEMPERATURE 293K, VAPOR DIFFUSION, SITTING DROP