6KXF

The ishigamide ketosynthase/chain length factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-06-24
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	79.872, 104.411, 114.706
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 1.980
R-factor	0.1819
Rwork	0.179
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.544
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.560	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.110	1.285
Rmeas	0.120	1.387
Rpim	0.034	0.507
Number of reflections	63794	4361
<I/σ(I)>	15.5	1.4
Completeness [%]	99.7	97.2
Redundancy	12.6	6.98
CC(1/2)	0.999	0.559

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	.25 M sodium formate and 25% w/v PEG 3,35