6TR7

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	P 21 21 21
Unit cell lengths	60.307, 73.365, 79.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.765 - 1.470
R-factor	0.1974
Rwork	0.196
R-free	0.21950
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]	79.020	1.500
High resolution limit [Å]	1.470	1.470
Number of reflections	60282	2889
<I/σ(I)>	12.7
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	1.000	0.530

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