7ZS3

Crystal structure of poplar glutathione transferase U19

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	2019-03-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	56.807, 56.807, 182.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.110 - 1.603
R-factor	0.2277
Rwork	0.227
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j2f
RMSD bond length	0.008
RMSD bond angle	0.860
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]	41.500	1.630
High resolution limit [Å]	1.603	1.603
Rmerge	0.068
Rmeas	0.070
Number of reflections	40239	1870
<I/σ(I)>	22.5
Completeness [%]	99.7	95.2
Redundancy	18
CC(1/2)	1.000	0.800

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