6OKF

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.939, 100.781, 79.260
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	75.102 - 2.500
R-factor	0.1786
Rwork	0.176
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1G5X (FabB) 2FAC (AcpP)
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.102	60.220	2.600
High resolution limit [Å]	2.500	9.010	2.500
Rmerge	0.140	0.067	0.832
Rmeas	0.153	0.073	0.906
Rpim	0.061	0.029	0.353
Number of reflections	30131	681	3384
<I/σ(I)>	7.5
Completeness [%]	99.0	99.2	98.6
Redundancy	6.2	6.2	6.4
CC(1/2)	0.993	0.996	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	26% PEG 8K, 0.1 M sodium cacodylate pH 6.5, and 0.3 M sodium acetate