7F27

Crystal structure of polyketide ketosynthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	62.576, 109.525, 122.902
Unit cell angles	90.00, 97.40, 90.00

Refinement procedure

Resolution	40.683 - 1.806
R-factor	0.1748
Rwork	0.174
R-free	0.19610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kas
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.683	40.683	1.920
High resolution limit [Å]	1.806	5.390	1.810
Rmerge	0.055	0.032	0.453
Rmeas	0.065	0.038	0.566
Number of reflections	282116	5601	20604
<I/σ(I)>	13.64	33.86	2.08
Completeness [%]	97.2	96	84.8
Redundancy	3.577	3.423	2.73
CC(1/2)	0.998	0.997	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.1	290	0.2M sodium phosphate dibasic, 20% PEG 3350