7D6L

Crystal structure of Trx2 from D. radiodurans R1

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]	100
Detector technology	PIXEL
Collection date	2018-10-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97940
Spacegroup name	C 1 2 1
Unit cell lengths	101.887, 57.819, 36.152
Unit cell angles	90.00, 94.78, 90.00

Refinement procedure

Resolution	18.935 - 1.947
R-factor	0.1947
Rwork	0.191
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v98
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.947	1.947
Rmeas	0.072	0.262
Rpim	0.030	0.118
Number of reflections	14566	685
<I/σ(I)>	50.779	11.628
Completeness [%]	94.9
Redundancy	5.1
CC(1/2)	0.993	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	PEG 3350, Bis-Tris