3NF4

Crystal structure of acyl-CoA dehydrogenase from Mycobacterium thermoresistibile bound to flavin adenine dinucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	I 21 21 21
Unit cell lengths	95.650, 99.230, 171.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 2.350
R-factor	0.194
Rwork	0.191
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvl molecule a
RMSD bond length	0.016
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.063	0.036	0.339
Number of reflections	33958	372	2426
<I/σ(I)>	22.1	40.2	6.6
Completeness [%]	98.8	82.9	96.9
Redundancy	8.6		8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	69.7 mg/mL protein against PACT screen condition e11, 0.2 M Na Citrate, 20% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 215726e11, VAPOR DIFFUSION, SITTING DROP, temperature 289K