8K1C

Structural insight into the role of acetyl-CoA acetyltransferase from Fusobacterium nucleatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	54.049, 78.161, 105.327
Unit cell angles	103.88, 93.73, 110.19

Refinement procedure

Resolution	35.733 - 1.894
R-factor	0.2007
Rwork	0.200
R-free	0.24280
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.733	1.962
High resolution limit [Å]	1.894	1.894
Rmerge	0.081
Number of reflections	309369	110832
<I/σ(I)>	0.2
Completeness [%]	85.8
Redundancy	2.8
CC(1/2)		0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	287	12% (v/v) PEG 3350, 0.1M Sodium carbonate pH 6.4, 0.16M magnesium chloride