7C0P

Structure of proteinase K obtained in SSRF using serial crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-12-07
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	69.000, 69.000, 107.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.684 - 2.150
R-factor	0.1857
Rwork	0.183
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fjs
Data reduction software	MOSFLM
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.684	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	14441	1203
<I/σ(I)>	5.06
Completeness [%]	98.2
Redundancy	8.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	PEG 20000, Tris-HCl pH 8.5, Ammonium sulfate