1YQX

Sinapyl Alcohol Dehydrogenase at 2.5 Angstrom Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	298
Detector technology	CCD
Collection date	2002-04-25
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0093
Spacegroup name	P 21 21 2
Unit cell lengths	76.362, 138.165, 67.629
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.330 - 2.500
R-factor	0.212
Rwork	0.212
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unrefined structure of the same protein solved by MAD
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.300	2.610
High resolution limit [Å]	2.500	2.500
Number of reflections	22921
Completeness [%]	91.0	99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	polyethylene glycol monomethyl ether 5000, polyethylene glycol 400, MOPSO, beta-mercaptoethanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K