9W61

Butyryl CoA dehydrogenase with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	88.566, 106.299, 91.954
Unit cell angles	90.00, 117.76, 90.00

Refinement procedure

Resolution	46.630 - 2.340
R-factor	0.2209
Rwork	0.219
R-free	0.26490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.631
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX ((???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.510	2.440
High resolution limit [Å]	2.340	5.170	2.400
Rmerge	0.149	0.107	0.502
Rmeas	0.176	0.123	0.624
Rpim	0.092	0.058	0.362
Number of reflections	53933	3048	2231
<I/σ(I)>	7.7
Completeness [%]	87.1	97.6	71.9
Redundancy	2.8	3.7	2
CC(1/2)	0.981	0.983	0.272

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	potassium sodium tartrate, PEG 3350