7B4X

Notum complex with ARUK3002697

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	2020-11-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	59.193, 72.995, 77.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.210 - 1.240
R-factor	0.2032
Rwork	0.202
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7arg
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.700	1.260
High resolution limit [Å]	1.240	1.240
Number of reflections	95744	4548
<I/σ(I)>	10.2
Completeness [%]	100.0
Redundancy	20
CC(1/2)	1.000	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.2	296	1.5 M Ammonium Sulphate 0.1 M Sodium Citrate