7XQ3

Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	59.665, 46.017, 94.115
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	35.740 - 1.770
R-factor	0.2629
Rwork	0.258
R-free	0.30510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wou
RMSD bond length	0.012
RMSD bond angle	1.801
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.109	0.273
Number of reflections	47643	47643
<I/σ(I)>	15.528
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)		0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	289	30% PEG 3350, 0.2M Sodium malonate pH 4.0