9K2L

Crystal structure of Plasmoredoxin, a disulfide oxidoreductase from Plasmodium falciparum crystallized in the presence of Glutathione(GSH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2024-02-06
Detector	MAR CCD 165 mm
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	49.162, 50.348, 77.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.570 - 1.400
R-factor	0.175
Rwork	0.173
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.780
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]	49.160	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	37724	1400
<I/σ(I)>	24.4
Completeness [%]	97.5
Redundancy	15.1
CC(1/2)	0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Ammonium acetate, ammonium sulphate, PEG 8000 , 5mM GSH