9KHR

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

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	48.704, 50.310, 78.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.310 - 2.000
R-factor	0.2075
Rwork	0.206
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9jq9
RMSD bond length	0.008
RMSD bond angle	0.828
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]	42.280	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	13487	963
<I/σ(I)>	13.5
Completeness [%]	99.9
Redundancy	6.8
CC(1/2)	0.996	0.918

Crystallization Conditions

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