7PJR

Notum_ARUK3000438

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	60.490, 72.250, 78.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.120 - 1.510
R-factor	0.1854
Rwork	0.184
R-free	0.20600
Structure solution method	SAD
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]	47.960	1.540
High resolution limit [Å]	1.510	1.510
Number of reflections	54858	2686
<I/σ(I)>	13.8
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	1.000	0.600

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