4HQO

Crystal structure of Plasmodium vivax TRAP protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	56.294, 100.474, 158.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.434 - 2.194
R-factor	0.1609
Rwork	0.159
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shu
RMSD bond length	0.008
RMSD bond angle	0.931
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.434	2.240
High resolution limit [Å]	2.194	2.194
Number of reflections	46935
<I/σ(I)>	16.7	3.69
Completeness [%]	98.3	88
Redundancy	3.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	277	0.1 M Tris, pH 8.5, 15% PEG20000, EVAPORATION, temperature 277K