8J6E

Structure insights into the NADPH quinone oxidoreductase from Leishmania donovani

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 32 2 1
Unit cell lengths	89.390, 89.390, 98.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.520 - 2.050
R-factor	0.1685
Rwork	0.167
R-free	0.19810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.786
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.520	2.123
High resolution limit [Å]	2.050	2.050
Rmerge		0.250
Rpim		0.250
Number of reflections	28988	2855
<I/σ(I)>	16.73	2.91
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	26 % (v/v) PEG3350, 150 mM Ammonium acetate, 100 mM Bis-Tris buffer, pH 5.5