5IDU

Crystal structure of an acyl-CoA dehydrogenase domain protein from Burkholderia phymatum bound to FAD

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	2016-02-03
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978720
Spacegroup name	P 21 21 21
Unit cell lengths	84.180, 108.420, 189.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.360 - 1.950
R-factor	0.1543
Rwork	0.154
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l1f
RMSD bond length	0.006
RMSD bond angle	0.783
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2313: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.090	0.501
Number of reflections	126600
<I/σ(I)>	10.1	3.33
Completeness [%]	99.9	99.9
Redundancy	5	5
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	BuphA.00027.f.B1.PS02558 at 21.1 mg/mL against Morepheus D6 10% PEG 8000, 20% ethylene glycol, 0.02 M each alcohol, 0.1 M MOPS/Hepes pH 7.5, crystal tracking ID 269543d6, unique puck ID evl4-1