8RSE

Proteinase K measured via serial crystallography from a silicon HARE-chip

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-05-04
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.976
Spacegroup name	P 43 21 2
Unit cell lengths	68.500, 68.500, 108.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.960 - 1.660
R-factor	0.1508
Rwork	0.149
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.803
Data reduction software	CrystFEL (0.10.2)
Data scaling software	CrystFEL (0.10.2)
Phasing software	PHENIX (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.960	1.730
High resolution limit [Å]	1.660	1.660
Number of reflections	32966	2802
<I/σ(I)>	17.14	13.12
Completeness [%]	100.0
Redundancy	1264.2
CC(1/2)	0.991	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	Microcrystals were obtained by mixing proteinase K solution (60mg/ml) with precipitant solution 1M NaNO3, 0.1M sodium citrate pH 6.5, in a 5:1 ratio and left overnight at room temperature.