9FOV

Crystal structure of Tryparedoxin from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97626
Spacegroup name	P 1 2 1
Unit cell lengths	62.463, 30.403, 74.910
Unit cell angles	90.00, 106.82, 90.00

Refinement procedure

Resolution	35.850 - 1.250
R-factor	0.1682
Rwork	0.168
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.520	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.108	1.239
Rmeas	0.120	1.405
Rpim	0.051	0.648
Number of reflections	73970	3604
<I/σ(I)>	7.1	1.2
Completeness [%]	98.3	96.4
Redundancy	4.8	4
CC(1/2)	0.997	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.8 M Ammoniumcitrate Protein concentration: 6.8 mg/ml 25 mM Na-phosphate buffer, pH 7.5, 150 mM NaCl 1 microliter of protein plus 1 microliter of reservoir