1HDE

HALOALKANE DEHALOGENASE MUTANT WITH PHE 172 REPLACED WITH TRP

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1994-05
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 1 21 1
Unit cell lengths	95.680, 73.530, 41.600
Unit cell angles	90.00, 91.32, 90.00

Refinement procedure

Resolution	8.000 - 2.700
R-factor	0.205
Rwork	0.205
R-free	0.25800
RMSD bond length	0.012 *
RMSD bond angle	1.900 *
Data reduction software	MADNES
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000 *
High resolution limit [Å]	2.670 *	2.670 *
Rmerge	0.101	0.312 *
Total number of observations	43099 *
Number of reflections	15796
Completeness [%]	93.6	83.1 *
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.8		pH 5.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	52-56 (%(w/v)sat)
2	1	reservoir	MES	100 (mM)