8I4R

Crystal structure of Acyl-CoA dehydrogenase complexed with Acetyl-CoA from Thermobifida fusca

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	2022-05-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 41 2 2
Unit cell lengths	102.143, 102.143, 312.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.800 - 2.510
R-factor	0.16701
Rwork	0.166
R-free	0.19488
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.834
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (v7.1.018)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.089	0.059	0.313
Number of reflections	27192	2698	2709
<I/σ(I)>	12.8
Completeness [%]	99.9	99	100
Redundancy	7.4	6.9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulfate Sodium citrate Potassium sodium tartrate tetrahydrate