7VU4

de novo design based on 1r26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9875
Spacegroup name	P 21 21 21
Unit cell lengths	26.772, 52.651, 67.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.870 - 1.700
R-factor	0.1932
Rwork	0.192
R-free	0.22540
Structure solution method	AB INITIO PHASING
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.440	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	11028	560
<I/σ(I)>	21.6
Completeness [%]	100.0
Redundancy	12.4
CC(1/2)	0.999	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M Sodium cacodylate pH6.5 27 % w/v PEG 2000 MME