8SMS

Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-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	2023-03-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.030, 100.230, 78.310
Unit cell angles	90.00, 109.34, 90.00

Refinement procedure

Resolution	37.250 - 1.930
R-factor	0.2042
Rwork	0.202
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.046
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.250	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.172	1.381
Rmeas	0.188	1.527
Rpim	0.076	0.640
Total number of observations	384446	22988
Number of reflections	63659	4228
<I/σ(I)>	7.7	1.5
Completeness [%]	98.6
Redundancy	6	5.4
CC(1/2)	0.994	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		281	26% PEG 8000, 0.3M sodium acetate, 0.1 M sodium cacodylate pH 6.0,