1U0M

Crystal Structure of 1,3,6,8-Tetrahydroxynaphthalene Synthase (THNS) from Streptomyces coelicolor A3(2): a Bacterial Type III Polyketide Synthase (PKS) Provides Insights into Enzymatic Control of Reactive Polyketide Intermediates

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-08
Detector	MARRESEARCH
Wavelength(s)	1.0718,1.0713,0.9050
Spacegroup name	P 1 21 1
Unit cell lengths	76.679, 69.685, 81.135
Unit cell angles	90.00, 95.42, 90.00

Refinement procedure

Resolution	40.390 - 2.220
R-factor	0.253
Rwork	0.253
R-free	0.29200
Structure solution method	MAD, AB INITIO PHASING
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.400	2.340
High resolution limit [Å]	2.200	2.200
Number of reflections	37126
Completeness [%]	87.9	42.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG 8000, Magnesium chloride, Na+MOPSO- buffer, sucrose, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K