8K7M

De novo design protein -T01

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 PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	71.653, 80.371, 78.913
Unit cell angles	90.00, 93.90, 90.00

Refinement procedure

Resolution	45.280 - 2.700
R-factor	0.2053
Rwork	0.203
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.138
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]	45.280	2.796
High resolution limit [Å]	2.700	2.700
Number of reflections	24681	2424
<I/σ(I)>	14.28
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.998	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Sodium acetate pH4.5 20% v/v PEG Smear High