1SV6

Crystal structure of 2-hydroxypentadienoic acid hydratase from Escherichia Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	110
Detector technology	CCD
Collection date	2004-02-09
Detector	MARRESEARCH
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	55.222, 121.507, 111.796
Unit cell angles	90.00, 94.10, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.243
Rwork	0.239
R-free	0.26700
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.320
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000
Number of reflections	31828
Completeness [%]	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PEG 4000, isopropanol, MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K