5EYW

Crystal structure of Litopenaeus vannamei triosephosphate isomerase complexed with 2-Phosphoglycolic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	38.140, 45.980, 71.850
Unit cell angles	74.56, 80.24, 75.17

Refinement procedure

Resolution	27.150 - 1.700
R-factor	0.1942
Rwork	0.192
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i9e
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.150	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.085	0.314
Number of reflections	48059
<I/σ(I)>	15.67	5.46
Completeness [%]	96.6	93.5
Redundancy	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	296	Crystallization experiments was performed with the addition of 15 mM PGA to the concentrated LvTIM protein. Needle-like crystals appeared in a reservoir solution containing 100mM Tris HCl pH 8.5, 30% w/v Polyethylene glycol 4,000 and 200mM Lithium sulfate monohydrate. Protein crystals grew for one week reaching dimensions of 400 x 50 x 50 um.