1WLY

Crystal Structure of 2-Haloacrylate Reductase

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	2004-05-24
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	140.797, 49.176, 59.053
Unit cell angles	90.00, 100.97, 90.00

Refinement procedure

Resolution	19.330 - 1.300
R-factor	0.212
Rwork	0.212
R-free	0.23200
Structure solution method	MIR
RMSD bond length	0.027
RMSD bond angle	2.400
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	1.380
High resolution limit [Å]	1.300	1.300
Number of reflections	94850
Completeness [%]	97.2	90.3

Crystallization Conditions

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