9S3A

TaGST-10 in complex with deoxynivalenol-13-glutathione

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 2 21
Unit cell lengths	52.408, 61.859, 168.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.900 - 2.300
R-factor	0.21248
Rwork	0.210
R-free	0.25762
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.281
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.182	0.978
Rmeas	0.190	1.021
Rpim	0.053	0.287
Total number of observations	302782	27411
Number of reflections	25016	2407
<I/σ(I)>	10.5	3.5
Completeness [%]	99.3
Redundancy	12.1	11.4
CC(1/2)	0.996	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	289	ammonium sulfate, sodium acetate