7BNL

Notum ARUK3003710

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	59.530, 72.250, 78.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 1.230
R-factor	0.179
Rwork	0.178
R-free	0.19780
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]	39.590	1.250
High resolution limit [Å]	1.230	1.230
Number of reflections	96811	4573
<I/σ(I)>	16.2
Completeness [%]	98.6
Redundancy	13.3
CC(1/2)	0.999	0.357

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