7DAJ

The crystal structure of serotonin N-acetyltransferase in complex with acetyl-CoA from Oryza Sativa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978530
Spacegroup name	P 21 21 21
Unit cell lengths	66.838, 68.188, 77.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.749 - 2.300
R-factor	0.2064
Rwork	0.200
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iv7
Data scaling software	Aimless
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.750	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.107	0.513
Rmeas	0.111	0.534
Rpim	0.043	0.147
Number of reflections	16402	1600
<I/σ(I)>	15.6	5
Completeness [%]	99.9	100
Redundancy	12.9	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	0.2 M Lithium sulfate monohydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% (w/v) Polyethylene glycol 4000