1EHY

X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-08-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	146.624, 100.201, 96.879
Unit cell angles	90.00, 100.68, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.19
Rwork	0.190
R-free	0.22700
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.360
Total number of observations	222880 *
Number of reflections	73445
<I/σ(I)>	14.7	2.57
Completeness [%]	91.5	82
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		1.8 M KH2PO4/K2HPO4, pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	reservoir	potassium phosphate	1.6-1.8 (M)