4Z8N

Crystal structure of the erythrocyte-binding domain from Plasmodium vivax reticulocyte-binding protein 2a (PvRBP2a)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.790, 93.450, 126.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.840 - 2.124
R-factor	0.2038
Rwork	0.203
R-free	0.22940
Structure solution method	SIRAS
RMSD bond length	0.004
RMSD bond angle	0.712
Data reduction software	MOSFLM (7.0.9)
Data scaling software	Aimless (0.2.7)
Phasing software	PHENIX (1.9-1692)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.760	49.760	2.190
High resolution limit [Å]	2.120	9.010	2.120
Rmerge	0.134	0.047	1.916
Rpim	0.037	0.013	0.525
Total number of observations	573213	7847	45977
Number of reflections	40211
<I/σ(I)>	13.3	38.8	1.8
Completeness [%]	100.0	99.6	100
Redundancy	14.3	12.6	14.1
CC(1/2)	0.999	0.999	0.538

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	25% w/v PEG3350, 100 mM HEPES sodium