7PXY

Crystal structure of Arabidopsis thaliana 5-enol-pyruvyl-shikimate-3-phosphate synthase (EPSPS) in open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	I 4 2 2
Unit cell lengths	108.410, 108.410, 156.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.080 - 1.400
R-factor	0.1521
Rwork	0.152
R-free	0.18980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nvs
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.066	1.400
Number of reflections	92087	14710
<I/σ(I)>	21.8	2.1
Completeness [%]	99.9	99.7
Redundancy	18.5	18.7
CC(1/2)	0.999	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	75% of Index G12 (0.2 M Magnesium chloride hexahydrate 0.1 M HEPES pH 7.5 25% w/v Polyethylene glycol 3,350) + 10 mM glyphosate 2+2 drop Cryoprotection: Index G12+20% ethylene glycol; 0.5 ul of 200 mM glyphosate was added to 10 ul of cryo solution