2DHD

CRYSTALLOGRAPHIC ANALYSIS OF THE CATALYTIC MECHANISM OF HALOALKANE DEHALOGENASE

Experimental procedure

Spacegroup name	P 21 21 2
Unit cell lengths	94.800, 72.800, 41.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.130
R-factor	0.189
RMSD bond length	0.010
RMSD bond angle	3.000
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	1.990 *
Rmerge	0.041 *
Total number of observations	39634 *
Number of reflections	16812 *
Completeness [%]	82.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.2 *	0 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		60 (%(w/v)sat)
2	1	reservoir	bis-Tris	100 (mM)