8S0N

Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	C 1 2 1
Unit cell lengths	161.869, 54.458, 165.822
Unit cell angles	90.00, 108.39, 90.00

Refinement procedure

Resolution	24.420 - 2.300
R-factor	0.2126
Rwork	0.211
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.841
Data reduction software	XDS (0.6.6.0)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.240	2.236
Rmeas	0.259	2.417
Rpim	0.097	0.912
Number of reflections	50880	2545
<I/σ(I)>	6.6	0.9
Completeness [%]	95.0	39.4
Redundancy	7	6.9
CC(1/2)	0.990	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	10 %w/v PEG 3000, 0.1 M imidazole (pH 8.0), 0.2 M lithium sulfate