7L4E

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-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	2017-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	86.950, 86.950, 114.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.242 - 2.000
R-factor	0.1697
Rwork	0.167
R-free	0.20690
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]	86.950	86.950	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.438	0.116	4.396
Rmeas	0.449	0.119	4.519
Rpim	0.099	0.026	1.037
Total number of observations	622935	8023	41223
Number of reflections	30391	423	2198
<I/σ(I)>	8.7	23.4	1.4
Completeness [%]	100.0	100	99.9
Redundancy	20.5	19	18.8
CC(1/2)	0.994	0.994	0.549

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