8SOG

Proteinase K Multiconformer Model at 313K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	313
Detector technology	PIXEL
Collection date	2019-05-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95369
Spacegroup name	P 43 21 2
Unit cell lengths	68.403, 68.403, 103.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.370 - 1.130
R-factor	0.1196
Rwork	0.119
R-free	0.15100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.370	1.170
High resolution limit [Å]	1.130	1.130
Number of reflections	92190	8318
<I/σ(I)>	11.17	1.13
Completeness [%]	93.8	91.27
Redundancy	8.5	8.1
CC(1/2)	0.999	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Proteinase K was dissolved at pH 7.5 to 30 mg/mL in a 50 mM TRIS buffer. The protein was crystallized using a hanging drop setup on a 24 well VDX plate with sealant and 22 mm thick siliconized circle cover slides by mixing equal amounts of protein solution with 1.2 M ammonium sulfate.