7DKR

Crystal structure of native E. coli Grx2 at 2.38 A

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	2020-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	28.470, 78.950, 89.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.475 - 2.378
R-factor	0.1973
Rwork	0.195
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kx4
Data reduction software	iMOSFLM
Data scaling software	SCALA (0.7.4)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.280	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.115	0.314
Rmeas	0.120	0.332
Rpim	0.036	0.106
Number of reflections	8647	877
<I/σ(I)>	15.2	6.5
Completeness [%]	100.0	100
Redundancy	11	9.5
CC(1/2)	0.997	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	Protein solution: 25mg/ml in 25mM Tris pH 8.0, 150 mM NaCl, Reservoir condition:0.1M HEPES pH:7.5, 20% w/v PEG 10000, Protein/reservoir mixed in 1:1, 1:2 and 2:1 ratio, set up using MRC Swissci 3 well plates with the drop size of 150 nl