8UZ7

Crystal structure of a novel triose phosphate isomerase identified on the shrimp transcriptome

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-25
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.181
Spacegroup name	P 1 21 1
Unit cell lengths	73.564, 84.253, 73.739
Unit cell angles	90.00, 92.69, 90.00

Refinement procedure

Resolution	55.450 - 1.700
R-factor	0.189
Rwork	0.189
R-free	0.19090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.831
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.450	1.763
High resolution limit [Å]	1.700	1.702
Rmerge	0.080	0.821
Rmeas	0.090	0.936
Rpim		0.446
Number of reflections	91724	9794
<I/σ(I)>	13.73	2.22
Completeness [%]	93.1
Redundancy	6.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Index kit (Hampton Research) No. 83 (0.2 M MgCl2-6H2O, 0.1 M Bis-Tris pH 6.5, 25% W/V PEG-3350, 20% PEG-400 as cryo-protectant)