7PUT

Crystal structure of Thioredoxin Reductase from Brugia Malayi in complex with NADP(H)

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	2020-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999900
Spacegroup name	C 2 2 21
Unit cell lengths	147.390, 260.287, 130.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 2.800
R-factor	0.1975
Rwork	0.196
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3QFA_A 4tr1
RMSD bond length	0.010
RMSD bond angle	1.621
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.046	0.564
Number of reflections	61904	4537
<I/σ(I)>	22.2	3.1
Completeness [%]	99.9
Redundancy	7.2	7.6
CC(1/2)	0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294.15	0.1M Tris/HCl pH 8, 5mM DTT, 20% MPD