1U0W

An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-09
Detector	MARRESEARCH
Wavelength(s)	0.773
Spacegroup name	P 1
Unit cell lengths	64.328, 71.724, 85.748
Unit cell angles	111.39, 91.61, 90.07

Refinement procedure

Resolution	49.340 - 2.000
R-factor	0.203
Rwork	0.203
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u0v
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.340	2.130
High resolution limit [Å]	2.000	2.000
Number of reflections	93036
Completeness [%]	97.0	91.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PEG 8000, ammonium acetate, HEPES-Na+ buffer, ethylene glycol, resveratrol, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K