7SZV

Crystal Structure of Acyl-CoA dehydrogenase from Mycobacterium marinum in complex with FDA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 64
Unit cell lengths	120.140, 120.140, 93.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.820 - 2.400
R-factor	0.1824
Rwork	0.180
R-free	0.21740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ol2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20-4438)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.820	42.820	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.062	0.047	0.539
Rmeas	0.066	0.050	0.571
Total number of observations	269364
Number of reflections	30213	355	2224
<I/σ(I)>	21.39	41.87	4.21
Completeness [%]	100.0	98.3	100
Redundancy	8.915	7.868	8.936
CC(1/2)	0.999	0.997	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	[Barcode: 320192b12] [pin_id: ghd0-3] [collection: aps21idf 3/25/2021] [crystallization conditions: MCSG1 B12 - 0.1M Bis-Tris:HCL, pH 6.5, 28% (w/v) PEG 2000 MME] [cryo: 20% EG]