5GJ7

putative Acyl-CoA dehydrogenase

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]	100
Detector technology	CCD
Collection date	2015-10-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	155.691, 69.384, 83.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.950
R-factor	0.1978
Rwork	0.196
R-free	0.22350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.667
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.980
High resolution limit [Å]	1.950	5.260	1.950
Rmerge	0.094	0.058	0.595
Number of reflections	65742
<I/σ(I)>	12.8
Completeness [%]	99.6	93.4	100
Redundancy	6.7	6.2	6.6
CC(1/2)		0.996	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.2M magnesium Chloride 0.1M MES :NaOH pH6.5 10%(w/v) PEG 4000