1G6S

STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-04-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	57.773, 85.241, 88.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.149
Rwork	0.149
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.800
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.038	0.136
Total number of observations	201724 *
Number of reflections	67479	6509 *
<I/σ(I)>	23.9	6.5
Completeness [%]	96.0	89.2
Redundancy	4.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	20 *	pH 7, VAPOR DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	1 (M)
2	1	reservoir	sodium potassium phosphate	25 (mM)	pH7.
3	1	drop	S3P	5 (mM)
4	1	drop	glyphosate	5 (mM)