5TKC

Crystal structure of FBP aldolase from Toxoplasma gondii, 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)	1.075
Spacegroup name	P 42 21 2
Unit cell lengths	109.848, 109.848, 54.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.837 - 1.779
R-factor	0.1545
Rwork	0.152
R-free	0.19140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.828
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	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.060	0.036	0.828
Rmeas	0.063	0.038	0.876
Rpim	0.017	0.010	0.276
Total number of observations	417400
Number of reflections	31989
<I/σ(I)>	13.3
Completeness [%]	97.5	99.8	78.8
Redundancy	13	13.3	9
CC(1/2)		0.999	0.804

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