7F28

Crystal structure of a bacterial 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	54.708, 104.243, 98.179
Unit cell angles	90.00, 98.24, 90.00

Refinement procedure

Resolution	39.050 - 1.877
R-factor	0.1913
Rwork	0.190
R-free	0.22960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u0f
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]	39.050	39.050	1.990
High resolution limit [Å]	1.877	5.600	1.880
Rmerge	0.071	0.035	0.444
Rmeas	0.083	0.041	0.523
Number of reflections	171271	3384	13251
<I/σ(I)>	12.76	27.65	3.26
Completeness [%]	98.4	98.2	92.5
Redundancy	3.684	3.488	3.418
CC(1/2)	0.998	0.998	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.2M sodium malonate, 20% PEG 3350