5TK3

Crystal structure of FBP aldolase from Toxoplasma gondii, burst-phase ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 42 21 2
Unit cell lengths	109.797, 109.797, 54.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.029 - 1.830
R-factor	0.163
Rwork	0.161
R-free	0.19100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.722
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.060	0.033
Rmeas	0.063	0.034
Rpim	0.018	0.009	0.372
Total number of observations	329764
Number of reflections	29367
<I/σ(I)>	14
Completeness [%]	97.4	99.8	96
Redundancy	11.2	13.2	8.5
CC(1/2)		0.999	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	296	0.1M Sodium Acetate, 0.2M Lithium Sulfate, 3.5% PEG 8000, 10% PEG 1000