8KA6

De novo design protein -NA7

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	2023-05-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	31.800, 89.785, 93.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.090 - 2.200
R-factor	0.2522
Rwork	0.251
R-free	0.27420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.356
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]	46.510	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	16298	1304
<I/σ(I)>	19.5
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.999	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	30% w/v PEG1500