5LOL

Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 2 21
Unit cell lengths	47.107, 67.002, 68.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.730 - 2.300
Rwork	0.212
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d9t
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.110	47.110	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.108	0.045	0.751
Rmeas	0.117
Rpim	0.045
Total number of observations	60869
Number of reflections	10362
<I/σ(I)>	13
Completeness [%]	90.4	99.3	46
Redundancy	5.9	5.8	1.4
CC(1/2)	0.997	0.999	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	283	20 mg/ml protein (in 20 mM HEPES pH 7.5, 150 mM NaCl, 1 mM EDTA) was mixed with 2 M ammonium sulfate, 0.1 M sodium acetate at a 1:1 ratio