4HQN

Crystal structure of manganese-loaded 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	2011-12-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	59.586, 96.567, 159.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.880 - 2.196
R-factor	0.1744
Rwork	0.172
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shu
RMSD bond length	0.007
RMSD bond angle	1.041
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]	39.880	2.240
High resolution limit [Å]	2.196	2.196
Number of reflections	47518
<I/σ(I)>	10.61	1.49
Completeness [%]	99.7	99.4
Redundancy	4	3.8

Crystallization Conditions

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