7USR

Plasmodium falciparum protein Pfs230 D1D2 - Structure of the first two 6-cysteine domains

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	PIXEL
Collection date	2020-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.968625
Spacegroup name	P 43
Unit cell lengths	65.788, 65.788, 108.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.519 - 1.930
R-factor	0.166
Rwork	0.164
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished in-house structure of a Pt-derivative solved by SIRAS
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.519	46.519	2.040
High resolution limit [Å]	1.930	5.740	1.930
Rmerge	0.139	0.037	1.440
Rmeas	0.144	0.039	1.494
Total number of observations	492491
Number of reflections	34715	1355	5565
<I/σ(I)>	16.64	66	1.93
Completeness [%]	99.9	99.9	99.5
Redundancy	14.187	15.135	14.205
CC(1/2)	0.999	1.000	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	20% PEG 3350, 0.2 M sodium formate