9VML

Structure of Trypanothione Reductase from Leishmania donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	C 2 2 21
Unit cell lengths	165.842, 190.619, 64.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.706 - 2.380
R-factor	0.2189
Rwork	0.216
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.120
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.439
High resolution limit [Å]	2.380	2.400
Number of reflections	41432	2684
<I/σ(I)>	10.05
Completeness [%]	99.4
Redundancy	1
CC(1/2)	0.810	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	279	2.2M Ammonium sulfate, 0.1M HEPES Sodium, 2% PEG 400