7PK3

Notum_ARUK3001185

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	60.068, 71.502, 78.358
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.820 - 1.410
R-factor	0.1761
Rwork	0.175
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r8p
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]	71.500	1.430
High resolution limit [Å]	1.410	1.410
Number of reflections	65798	3278
<I/σ(I)>	12.5
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	1.000	0.454

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