8W97

De novo design protein -PK16

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	2023-04-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	93.948, 93.948, 70.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.280 - 2.900
R-factor	0.2388
Rwork	0.238
R-free	0.25470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.280	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	7519	296
<I/σ(I)>	14.99
Completeness [%]	72.8
Redundancy	13.4
CC(1/2)	0.999	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	20% w/v PEG 10000 0.1M Hepes ph7.5