2EDA

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	95.100, 73.000, 41.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.190
R-factor	0.161
RMSD bond length	0.011
RMSD bond angle	3.200
Refinement software	TNT

Data quality characteristics

	Overall
Low resolution limit [Å]	9999.000 *
High resolution limit [Å]	2.190 *
Rmerge	0.061 *
Total number of observations	34777 *
Number of reflections	12376 *
Completeness [%]	81.2 *

Crystallization Reagents in Literatures

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