7XAO

Crystal structure of thioredoxin 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	125
Detector technology	PIXEL
Collection date	2021-08-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	31.240, 31.270, 215.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.680 - 1.450
R-factor	0.2475
Rwork	0.246
R-free	0.28330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yn1
RMSD bond length	0.006
RMSD bond angle	0.837
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.680	1.450
High resolution limit [Å]	1.450	1.450
Rmerge	0.093	0.421
Number of reflections	38852	3820
<I/σ(I)>	17.59
Completeness [%]	99.8
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293.15	0.1M SPG buffer/NaOH pH 5.7, 23% PEG 1500