7ZVP

Crystal structure of poplar glutathione transferase U19 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)	0.98010
Spacegroup name	P 41 21 2
Unit cell lengths	56.727, 56.727, 182.015
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.140 - 1.610
R-factor	0.2301
Rwork	0.229
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7zs3
RMSD bond length	0.008
RMSD bond angle	0.880
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]	48.100	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.062	0.670
Number of reflections	39646	1927
<I/σ(I)>	17.7	2.3
Completeness [%]	99.9	100
Redundancy	10	10
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	277	0.2 M Calcium acetate hydrate, 0.1 M Sodium cacodylate pH 6.5 and 18 % w/v PEG 8000