8KC5

De novo design protein -T09

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	2023-01-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	46.026, 59.415, 85.421
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	36.300 - 2.300
R-factor	0.2116
Rwork	0.207
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.506
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]	48.720	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	20207	1944
<I/σ(I)>	14.9
Completeness [%]	97.9
Redundancy	2	5.5
CC(1/2)	0.999	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.2M Imidazole malate pH5.5 33% w/v PEG600