8DLE

Crosslinked Crystal Structure of the 8-amino-7-oxonanoate synthase, BioF, and Benzene Sulfonyl Fluoride-crypto Acyl Carrier Protein, BSF-ACP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	94.490, 162.310, 70.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.570 - 2.300
R-factor	0.2053
Rwork	0.203
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bs0 2fad
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.570	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.768
Rmeas	0.114	1.086
Rpim	0.081	0.768
Number of reflections	20184	1669
<I/σ(I)>	7.37	0.47
Completeness [%]	81.0	69.26
Redundancy	1.8598	1.8586
CC(1/2)	0.989	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289.15	1.5 M ammonium sulfate