9JD1

Crystal structure of TMPRSS2 in complex with Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	46.164, 89.176, 201.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.430 - 1.900
R-factor	0.1911
Rwork	0.190
R-free	0.22330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.802
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.430	31.430	2.010
High resolution limit [Å]	1.900	5.650	1.900
Rmerge	0.119	0.064	0.836
Rmeas	0.124	0.067	0.871
Number of reflections	66877	2765	10622
<I/σ(I)>	12.55
Completeness [%]	99.9
Redundancy	12.8
CC(1/2)	0.998	0.998	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	50 mM MES pH 5.6, 8.6% (w/v) Polyethylene glycol 4,000, 17.1% (v/v) Polyethylene glycol 600