4TR9

Ternary co-crystal structure of fructose-bisphosphate aldolase from Plasmodium falciparum in complex with TRAP and a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-09
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	69.896, 139.557, 142.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.850 - 2.111
R-factor	0.2086
Rwork	0.206
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pc4
RMSD bond length	0.002
RMSD bond angle	0.501
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.850	2.186
High resolution limit [Å]	2.110	2.110
Rmerge	0.070	0.910
Number of reflections	49244
<I/σ(I)>	21.47	1.04
Completeness [%]	61.1	8.08
Redundancy	5.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 0.1 M MgCl