8A0P

Crystal structure of poplar glutathione transferase U20 in complex with morin

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	2020-11-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98012
Spacegroup name	P 41 21 2
Unit cell lengths	56.600, 56.600, 183.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.880 - 1.686
R-factor	0.2158
Rwork	0.215
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8a08
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]	48.100	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.051
Number of reflections	34640	2397
<I/σ(I)>	34.5	2.2
Completeness [%]	99.7
Redundancy	25
CC(1/2)	1.000	0.800

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