7ARG

Notum in complex with ARUK3002704

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	59.730, 71.780, 78.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.820 - 1.240
R-factor	0.1812
Rwork	0.180
R-free	0.19830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tv4
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.700	1.260
High resolution limit [Å]	1.240	1.240
Rmerge		1.500
Number of reflections	95627	4756
<I/σ(I)>	16.8
Completeness [%]	100.0
Redundancy	39.4
CC(1/2)	1.000	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		296	1.5 M Ammonium Sulphate 0.1 M Sodium Citric, pH4.6