6MHK

Crystal structure of ketosynthase nine 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	2015-01-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	78.861, 116.486, 141.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.930
R-factor	0.1837
Rwork	0.182
R-free	0.21044
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.904
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	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.132	0.882
Number of reflections	97550	4728
<I/σ(I)>	18.9	1.85
Completeness [%]	98.7	97.9
Redundancy	6.9
CC(1/2)	0.982	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M MgCl2, 0.1M Tris pH 8.5, 20% w/v PEG 8000