6KXE

The ishigamide ketosynthase/chain length factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-09-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	69.426, 69.426, 265.465
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.780 - 1.810
R-factor	0.1656
Rwork	0.163
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.630
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	1.850
High resolution limit [Å]	1.810	1.810
Rmerge	0.163	2.012
Rmeas	0.168	2.075
Rpim	0.052	0.698
Number of reflections	65008	3883
<I/σ(I)>	12.8
Completeness [%]	99.7
Redundancy	19.6
CC(1/2)	0.999	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	1.1 M sodium phosphate monobasic, 1.65 M potassium phosphate dibasic, and 0.1 M sodium acetate/acetic acid buffer