8K9H

Complex structure of Acetoacetate:butyrate/acetate coenzyme A transferase and Butyrate-acetoacetate CoA-transferase subunit B from Fusobacterium nucleatum ATCC 25586

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 65
Unit cell lengths	166.518, 166.518, 191.377
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.070 - 2.730
R-factor	0.1959
Rwork	0.195
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.034
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.070	2.780
High resolution limit [Å]	2.730	2.730
Rmerge		1.003
Rmeas	0.247
Number of reflections	79588	7920
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	20
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	279.15	Ammonium sulfate,Lithium sulfate,Caps pH 10.5