7V5I

Structural insights into the substrate selectivity of acyl-CoA transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	63.121, 136.238, 219.254
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.410 - 3.080
R-factor	0.2065
Rwork	0.204
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fc4
RMSD bond length	0.002
RMSD bond angle	0.481
Data scaling software	HKL-2000
Refinement software	REFMAC (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.180
High resolution limit [Å]	3.070	3.070
Rmerge	0.081	0.670
Number of reflections	36206	3586
<I/σ(I)>	19.3
Completeness [%]	99.9
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M magnesium acetate, 0.1 M sodium cacodylate, pH 6.0, with 23% polyethylene glycol (PEG) 8000