9JD0

Crystal structure of TMPRSS2 in complex with nanobody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-14
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	137.547, 137.547, 130.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 2.000
R-factor	0.1896
Rwork	0.188
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.692
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207-000))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.500	43.500	2.120
High resolution limit [Å]	2.000	5.960	2.000
Rmerge	0.106	0.046	0.883
Rmeas	0.110	0.048	0.915
Number of reflections	84570	3467	13431
<I/σ(I)>	19.63
Completeness [%]	99.9
Redundancy	14.97
CC(1/2)	0.999	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.2 M sodium malonate pH 6.0, 10% (w/v) Polyethylene glycol 3,350