6X0B

Crystal Structure of Thioredoxin NaTrxh from Nicotiana alata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	45.990, 68.851, 70.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.362 - 1.702
R-factor	0.1871
Rwork	0.185
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iwt
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.362	1.700
High resolution limit [Å]	1.700	1.700
Rmerge	0.106	1.032
Rpim	0.038	0.384
Number of reflections	47203	2344
<I/σ(I)>	25.2	2.6
Completeness [%]	98.7
Redundancy	8.6
CC(1/2)	1.000	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291.15	20% (w/v) PEG 3,350, 200 mM ammonium formate and 0.025% (v/v) dichloromethane