6ZVL

ARUK3000263 complex with Notum

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	2018-05-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	59.805, 71.791, 78.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.830 - 1.300
R-factor	0.2018
Rwork	0.201
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6tr5
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]	59.800	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	83089	3974
<I/σ(I)>	14.3	1.8
Completeness [%]	99.9
Redundancy	12.3
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.2	293	1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH 4.2