8KAC

De novo design protein -NX1

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	C 1 2 1
Unit cell lengths	100.643, 47.995, 27.476
Unit cell angles	90.00, 94.86, 90.00

Refinement procedure

Resolution	27.430 - 1.750
R-factor	0.1997
Rwork	0.199
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.527
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]	50.140	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	11381	463
<I/σ(I)>	19
Completeness [%]	85.7
Redundancy	5.9
CC(1/2)	0.999	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Ammonium acetate pH 4.5 27% w/v PEG10,000