9W60

Butyryl CoA dehydrogenase

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	2023-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	100.398, 100.398, 163.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 2.800
R-factor	0.2288
Rwork	0.223
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	21233	1841
<I/σ(I)>	8.5
Completeness [%]	99.6
Redundancy	10.9
CC(1/2)	0.998	0.125

Crystallization Conditions

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