2HOQ

Crystal structure of the probable haloacid dehalogenase (PH1655) from pyrococcus horikoshii OT3

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-05-15
Detector	RIGAKU RAXIS V
Wavelength(s)	0.97903, 0.97938, 1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	59.534, 70.723, 120.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.580 - 1.700
R-factor	0.215
Rwork	0.215
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.087	0.290
Number of reflections	27575
Completeness [%]	97.8	99.8
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1M MES, 0.05M Cesium chloride and 25-30% Jeffamine M-600, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K