9K98

Crystal structure of Plasmoredoxin, a disulfide oxidoreductase from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	Excillum MetalJet D2+ 160 kV
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-13
Detector	DECTRIS PILATUS3 R 1M
Wavelength(s)	1.36
Spacegroup name	P 61
Unit cell lengths	74.220, 74.220, 63.503
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.170 - 1.770
R-factor	0.227
Rwork	0.225
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.909
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.170	1.810
High resolution limit [Å]	1.770	1.770
Number of reflections	18822	579
<I/σ(I)>	34.1
Completeness [%]	96.7
Redundancy	15.7
CC(1/2)	1.000	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulphate