8KCJ

De novo design protein -N7

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	2023-05-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 4
Unit cell lengths	72.427, 72.427, 33.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.140 - 1.450
R-factor	0.2024
Rwork	0.201
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.781
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]	28.140	1.502
High resolution limit [Å]	1.450	1.450
Number of reflections	31311	3097
<I/σ(I)>	22.32
Completeness [%]	99.6
Redundancy	2
CC(1/2)	1.000	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	20% w/v PEG 10000 0.1M Hepes ph7.5