4HZP

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	IMAGE PLATE
Collection date	2009-12-10
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97857
Spacegroup name	P 61 2 2
Unit cell lengths	59.711, 59.711, 311.113
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.720 - 1.770
R-factor	0.2274
Rwork	0.225
R-free	0.27477
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hzn
RMSD bond length	0.022
RMSD bond angle	1.980
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.770
Rmerge	0.107
Number of reflections	32885
<I/σ(I)>	14.7
Completeness [%]	98.5
Redundancy	9.1

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