4HZN

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	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97941, 1.127
Spacegroup name	P 61 2 2
Unit cell lengths	60.165, 60.165, 311.193
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.060 - 2.250
R-factor	0.20245
Rwork	0.200
R-free	0.25381
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.233
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	28.060
High resolution limit [Å]	2.250
Rmerge	0.074
Number of reflections	16907
<I/σ(I)>	28.7
Completeness [%]	98.8
Redundancy	17.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	298	Protein solution: 45 mg/mL protein in 10 mM NaCl and 10 mM Tris-HCl, 2.5 mM methylmalonyl-CoA, pH 8.0. Precipitant solution: 12 - 18% glycerol, 1.3 - 1.6 M (NH4)2SO4, 0.1 M Tris-HCl, pH 7.0 - 8.5 (1:1, protein:well), VAPOR DIFFUSION, HANGING DROP, temperature 298K