8S0L

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	182.665, 53.808, 65.477
Unit cell angles	90.00, 100.74, 90.00

Refinement procedure

Resolution	24.820 - 1.800
R-factor	0.1786
Rwork	0.177
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.013
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.106	2.643
Number of reflections	58045	4194
<I/σ(I)>	9.2	0.6
Completeness [%]	99.8	98.3
Redundancy	6.4	6.3
CC(1/2)	0.998	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	20 %w/v PEG 3350, 0.05 M HEPES (pH 7.0), 1 %w/v Tryptone, 0.001 %w/v NaN3