6TR6

N-acetylserotonin-Notum complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.04
Spacegroup name	P 21 21 21
Unit cell lengths	59.510, 72.730, 77.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 1.350
R-factor	0.1812
Rwork	0.181
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uzq
Data reduction software	xia2
Data scaling software	xia2
Phasing software	xia2
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.730	1.370
High resolution limit [Å]	1.350	1.350
Number of reflections	72849	2717
<I/σ(I)>	23.3
Completeness [%]	97.4
Redundancy	10.9
CC(1/2)	1.000	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	300	1.5 M ammonium sulphate 0.1 M sodium citrate pH 4.2.