7KYD

Drosophila melanogaster long-chain fatty-acyl-CoA synthetase CG6178

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	55.851, 77.778, 113.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.720 - 2.500
R-factor	0.2
Rwork	0.197
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g36
RMSD bond length	0.002
RMSD bond angle	0.456
Data reduction software	HKL-3000
Data scaling software	HKL-3000 (v703x)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.720	2.540
High resolution limit [Å]	2.498	2.498
Rmerge	0.104
Rmeas		0.671
Number of reflections	17684	2851
<I/σ(I)>	17.46	2.95
Completeness [%]	99.7	100
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	28% (w/v) PEG 3350, 0.1M Tris Buffer pH 7.5, 0.2M Ammonium Sulfate, 10mM ATP disodium salt