6MHL

Crystal structure of ketosynthase twelve 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	2015-08-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	132.215, 85.131, 134.297
Unit cell angles	90.00, 110.55, 90.00

Refinement procedure

Resolution	50.000 - 1.820
R-factor	0.18995
Rwork	0.188
R-free	0.21861
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4na1
RMSD bond length	0.018
RMSD bond angle	1.723
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	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.080	0.709
Number of reflections	124787	6210
<I/σ(I)>	18.3	1.6
Completeness [%]	99.9	100
Redundancy	3.8
CC(1/2)	0.933	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2M Sodium acetate, 24% (w/v) PEG 3350