6MHP

Crystal structure of BaeC acyltransferase from bacillaene polyketide synthase in Bacillus amyloliquefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	46.069, 50.142, 111.455
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.730
R-factor	0.19953
Rwork	0.198
R-free	0.23034
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rgi
RMSD bond length	0.020
RMSD bond angle	1.899
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.074	0.713
Number of reflections	27508	1347
<I/σ(I)>	35.6
Completeness [%]	99.6	99.3
Redundancy	7
CC(1/2)	0.819	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M Ammonium formate, 25% (w/v) PEG 3350