1G6T

STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-03-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	58.035, 84.936, 87.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.600
R-factor	0.155
Rwork	0.155
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
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	1.650
High resolution limit [Å]	1.600	1.600
Rmerge	0.049	0.181 *
Total number of observations	182207 *
Number of reflections	57076	4837 *
<I/σ(I)>	15.1	4.7
Completeness [%]	98.6	95.7
Redundancy	3.3	2.5

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)