8A08

Crystal structure of poplar glutathione transferase U20 in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 41 21 2
Unit cell lengths	56.563, 56.563, 181.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.700 - 1.645
R-factor	0.206
Rwork	0.204
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zs3
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.055
Number of reflections	36971	1740
<I/σ(I)>	33.3	2.4
Completeness [%]	99.8
Redundancy	26
CC(1/2)	1.000	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.5	277	200 mM calcium chloride, 100 mM Tris-HCl pH 8.5, 20 % w/v PEG 4000