8KCK

De novo design protein -N9

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 2 2 21
Unit cell lengths	35.011, 75.997, 129.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.610 - 1.350
R-factor	0.1852
Rwork	0.184
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.336
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]	43.210	1.370
High resolution limit [Å]	1.350	1.350
Number of reflections	38488	1939
<I/σ(I)>	23.22
Completeness [%]	100.0
Redundancy	9
CC(1/2)	1.000	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.2Msodium chloride 0.1M MES pH6.0 20% w/v PEG2000 MME