1EDB

CRYSTALLOGRAPHIC AND FLUORESCENCE STUDIES OF THE INTERACTION OF HALOALKANE DEHALOGENASE WITH HALIDE IONS: STUDIES WITH HALIDE COMPOUNDS REVEAL A HALIDE BINDING SITE IN THE ACTIVE SITE

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	95.400, 72.900, 41.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.010
R-factor	0.175
RMSD bond angle	3.100
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.010 *
Rmerge	0.067 *
Total number of observations	47248 *
Number of reflections	16306 *
Completeness [%]	89.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *			referred to J.Mol.Biol. 200.611-612 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein solution		0.005ml
2	1	drop	ammonium sulfate	60-70 (%sat)
3	1	drop	bis-Tris-H2SO4
4	1	reservoir	ammonium sulfate	60-70 (%sat)
5	1	reservoir	bis-Tris-H2SO4