6MWS

crystal structure of the reduced Grx1 from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-31
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953654
Spacegroup name	P 21 21 21
Unit cell lengths	41.364, 51.779, 57.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.380 - 1.220
R-factor	0.1494
Rwork	0.148
R-free	0.17150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.430
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.360	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.053	0.319
Rmeas	0.056	0.337
Rpim	0.015	0.107
Number of reflections	37323	1777
<I/σ(I)>	19.4
Completeness [%]	99.9	98.3
Redundancy	12.7	9.6
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.23 M Lithium sulfate monohydrate, 0.1 M Bis-Tris, pH 5.8, 26% (w/v) PEG 3350