7P0X

Crystal structure of Thioredoxin reductase from Brugia Malayi

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	2020-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	146.921, 258.985, 129.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.900 - 2.550
R-factor	0.1987
Rwork	0.197
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3QFA_A 4tr1
RMSD bond length	0.009
RMSD bond angle	1.564
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]	48.900	2.600
High resolution limit [Å]	2.550	2.550
Rmerge	0.032	0.820
Number of reflections	80241	4505
<I/σ(I)>	28.8	2.3
Completeness [%]	100.0	100
Redundancy	6.6	6.8
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294.15	22% MPD, 0.1M Tris/HCl pH8, 5mM DTT