7B84

Notum-Fragment065

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	2017-02-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	60.044, 73.143, 78.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.510 - 1.360
R-factor	0.2143
Rwork	0.214
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	45UZQ
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]	78.490	1.380
High resolution limit [Å]	1.360	1.360
Number of reflections	74306	3609
<I/σ(I)>	7.9
Completeness [%]	99.3
Redundancy	6.1
CC(1/2)	1.000	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		296	1.5 M Ammonium Sulphate 0.1 M Sodium Citrate, pH4.2