8KC0

De novo design protein -NB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	46.160, 46.160, 127.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.640 - 2.100
R-factor	0.2362
Rwork	0.232
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.160	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	15117	673
<I/σ(I)>	24.7
Completeness [%]	99.9
Redundancy	22.3
CC(1/2)	1.000	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.8M Succinic acid pH7.0