5TJS

Crystal structure of FBP aldolase from Toxoplasma gondii, native form

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	110.218, 110.218, 54.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.968 - 1.780
R-factor	0.1572
Rwork	0.155
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qut
RMSD bond length	0.009
RMSD bond angle	1.197
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	0.083	0.036
Rmeas	0.083	0.038
Rpim	0.024	0.010	0.477
Total number of observations	438181
Number of reflections	32711
<I/σ(I)>	9.3
Completeness [%]	99.1	99.8	87.8
Redundancy	13.4	13.3	8.7
CC(1/2)		0.999	0.516

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