6OKG

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	86.890, 86.890, 113.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.045 - 2.300
R-factor	0.1955
Rwork	0.194
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2GFW was used as the search model for FabF 2FAC was used as the search model for AcpP
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]	86.890	86.890	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.368	0.061	2.399
Rmeas	0.378	0.063	2.461
Rpim	0.085	0.015	0.544
Total number of observations	382501
Number of reflections	20047	425	1928
<I/σ(I)>	9.2
Completeness [%]	100.0	100	100
Redundancy	19.1	17	19.8
CC(1/2)	0.996	0.999	0.597

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