4HZO

The Structure of the Bifunctional Acetyltransferase/Decarboxylase LnmK from the Leinamycin Biosynthetic Pathway Revealing Novel Activity for a Double Hot Dog Fold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 61 2 2
Unit cell lengths	60.487, 60.487, 310.964
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.390 - 1.760
R-factor	0.22161
Rwork	0.220
R-free	0.24929
RMSD bond length	0.024
RMSD bond angle	2.127
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	26.120
High resolution limit [Å]	1.760
Rmerge	0.094
Number of reflections	34431
<I/σ(I)>	16
Completeness [%]	97.7
Redundancy	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	Protein: 20 mg/mL in 100 mM NaCl and 10 mM Tris-HCl, pH 8.0 plus 10 mM methylmalonyl-CoA. Precipitant: 20 - 23% MEPEG 2000, 0.25-0.35 M (NH4)2SO4 and 0.1 M Bis-tris propane-HCl, pH 7.0 in 4 L drops (1:1, protein:well), VAPOR DIFFUSION, HANGING DROP, temperature 298K