8KC8

De novo design protein -T11

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	I 41 3 2
Unit cell lengths	150.212, 150.212, 150.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.500 - 2.650
R-factor	0.2247
Rwork	0.221
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.617
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]	61.320	2.800
High resolution limit [Å]	2.650	2.650
Number of reflections	8196	1007
<I/σ(I)>	35
Completeness [%]	94.0
Redundancy	61.8
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	1.8M Sodium phosphate monobasic monohydrate,Potassium phosphate dibasic ,pH8.2