7V58

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	2019-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	62.724, 122.630, 136.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.540 - 1.840
R-factor	0.1872
Rwork	0.185
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fc4
RMSD bond length	0.012
RMSD bond angle	1.144
Data scaling software	HKL-2000
Refinement software	REFMAC (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.042	0.729
Number of reflections	90896	9025
<I/σ(I)>	32.6
Completeness [%]	99.2
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium sulfate, 0.1 M MES monohydrate, pH 6.5, 0.2 M Lithium sulfate, 1 mM L-glycine, 30% polyethylene glycol (PEG) 5000