1Y37

Structure of Fluoroacetate Dehalogenase from Burkholderia sp. FA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-31
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	85.942, 137.631, 52.920
Unit cell angles	90.00, 95.09, 90.00

Refinement procedure

Resolution	19.810 - 1.500
R-factor	0.181
Rwork	0.181
R-free	0.20300
Structure solution method	SIRAS
RMSD bond length	0.019
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	96964
Completeness [%]	99.8	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		pH 8.0, VAPOR DIFFUSION, HANGING DROP