7BCK

Notum Fragment 791

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	59.813, 73.850, 78.975
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.940 - 1.700
R-factor	0.2222
Rwork	0.221
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uz1
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]	59.810	1.720
High resolution limit [Å]	1.700	1.700
Number of reflections	39303	1684
<I/σ(I)>	6.8
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.997	0.397

Crystallization Conditions

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