7PKV

Notum_Inhibitor ARUK3000223

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	2018-04-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	60.240, 71.910, 78.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 1.680
R-factor	0.2053
Rwork	0.204
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r8p
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]	47.800	1.710
High resolution limit [Å]	1.680	1.680
Number of reflections	39638	1964
<I/σ(I)>	15.2
Completeness [%]	100.0
Redundancy	13
CC(1/2)	1.000	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	296	1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH4.2