9KW1

Crystal structure of proteinase K from Engyodontium album

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	300
Detector technology	CCD
Collection date	2023-11-21
Detector	RAYONIX MX300-HS
Wavelength(s)	0.827
Spacegroup name	P 43 21 2
Unit cell lengths	68.700, 68.700, 108.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.190 - 1.200
R-factor	0.1698
Rwork	0.169
R-free	0.18250
Structure solution method	SAD
RMSD bond angle	5.439
Data scaling software	CrystFEL
Phasing software	SHELXCD
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	82104	4018
<I/σ(I)>	6
Completeness [%]	100.0
Redundancy	265
CC(1/2)	0.940	0.472

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	0.5 M NaNO3, 0.1 M CaCl2, 0.1 M MES