4TU1

Structure of Toxoplasma gondii fructose 1,6 bisphosphate aldolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127092
Spacegroup name	P 2 21 21
Unit cell lengths	92.258, 134.458, 162.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.696 - 2.000
R-factor	0.1964
Rwork	0.194
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pc4
RMSD bond length	0.007
RMSD bond angle	1.015
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.812
High resolution limit [Å]	1.749	1.749
Rmerge	0.078	1.858
Number of reflections	184014
<I/σ(I)>	11.44	0.61
Completeness [%]	90.5	58.27
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	277	0.1 M MOP/HEPES pH 7.9, 0.02 M sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate, 0.02 M ammonium acetate, 12.5% glycerol, 25% PEG-4000; seeded