5TKP

Crystal structure of FBP aldolase from Toxoplasma gondii, equilibrium Schiff base FBP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 42 21 2
Unit cell lengths	109.120, 109.120, 54.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.090
R-factor	0.1643
Rwork	0.160
R-free	0.21130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.942
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	2.130
High resolution limit [Å]	2.090	5.670	2.090
Rmerge	0.084	0.040	0.883
Rmeas	0.087
Rpim	0.030
Total number of observations	154302
Number of reflections	19184
<I/σ(I)>	8.4
Completeness [%]	95.1	99.9	61.6
Redundancy	8	11	3.3
CC(1/2)		0.999	0.491

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