6OLT

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-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	86.450, 86.450, 115.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.137 - 2.350
R-factor	0.2029
Rwork	0.201
R-free	0.23890
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]	86.450	86.450	2.430
High resolution limit [Å]	2.350	9.100	2.350
Rmerge	0.331	0.040	4.098
Rmeas	0.342	0.042	4.232
Rpim	0.086	0.012	1.049
Number of reflections	18833	405	1798
<I/σ(I)>	9.9
Completeness [%]	99.9	100	99.8
Redundancy	15.3	12.9	15.9
CC(1/2)	0.996	0.999	0.448

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