8I4P

crystal structure of Acyl-CoA dehydrogenase 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]	293
Detector technology	CCD
Collection date	2022-05-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 41 2 2
Unit cell lengths	101.721, 101.721, 311.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.730 - 1.900
R-factor	0.18024
Rwork	0.179
R-free	0.19624
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.852
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.076	0.051	0.347
Rmeas	0.080	0.054	0.377
Rpim	0.024	0.015	0.143
Total number of observations	592579
Number of reflections	64134	3483	3143
<I/σ(I)>	11.1
Completeness [%]	98.8	98.7	98.6
Redundancy	9.2	11.9	5.9
CC(1/2)	0.995	0.996	0.805

Crystallization Conditions

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