7L4L

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.782, 92.136, 113.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.396 - 2.650
R-factor	0.2243
Rwork	0.222
R-free	0.26650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6okg
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.400	48.400	2.780
High resolution limit [Å]	2.650	8.790	2.650
Rmerge	0.404	0.084	1.899
Rmeas	0.420	0.088	1.966
Rpim	0.112	0.025	0.508
Total number of observations	364390	9449	50899
Number of reflections	26271	816	3428
<I/σ(I)>	7.5	20.8	1.8
Completeness [%]	100.0	99.6	100
Redundancy	13.9	11.6	14.8
CC(1/2)	0.988	0.998	0.728

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	30 % PEG 8K, 0.1 M sodium cacodylate pH 6.5, and 0.3 M sodium acetate