5TKL

Crystal structure of FBP aldolase from Toxoplasma gondii, condensation intermediate

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	109.621, 109.621, 54.958
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.129 - 1.751
R-factor	0.1502
Rwork	0.148
R-free	0.17690
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.804
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	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.064	0.033
Rmeas	0.066	0.034
Rpim	0.019	0.009	0.404
Total number of observations	427202
Number of reflections	34234
<I/σ(I)>	13.8
Completeness [%]	99.9	99.9	99.6
Redundancy	12.5	13.3	7.2
CC(1/2)		0.999	0.611

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