8K7Z

De novo design protein -N1

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	C 1 2 1
Unit cell lengths	68.436, 60.518, 37.996
Unit cell angles	90.00, 106.03, 90.00

Refinement procedure

Resolution	23.300 - 1.300
R-factor	0.1768
Rwork	0.176
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.747
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]	32.890	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	36124	1473
<I/σ(I)>	15.2
Completeness [%]	98.6
Redundancy	6.2
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Sodium citrate pH5.6 20%w/v PEG 4000