7DAI

The crystal structure of a serotonin N-acetyltransferase 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	C 1 2 1
Unit cell lengths	110.703, 77.550, 110.438
Unit cell angles	90.00, 110.50, 90.00

Refinement procedure

Resolution	19.969 - 2.300
R-factor	0.2388
Rwork	0.237
R-free	0.28370
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]	19.970	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.092	0.591
Rmeas	0.100	0.641
Rpim	0.039	0.245
Number of reflections	38989	3819
<I/σ(I)>	10.9	2.6
Completeness [%]	98.8	100
Redundancy	6.8	6.7
CC(1/2)		0.922

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