9DPF

Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	73.034, 76.640, 88.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.310 - 1.900
R-factor	0.20141
Rwork	0.199
R-free	0.25411
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.522
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.010
High resolution limit [Å]	1.900	5.370	1.980
Rmerge	0.183	0.079	1.308
Rmeas	0.192	0.082	1.380
Rpim	0.056	0.024	0.426
Number of reflections	37404	1928	1729
<I/σ(I)>	3.6
Completeness [%]	99.2	99.8	99.7
Redundancy	11.4	12.3	9.4
CC(1/2)	0.984	0.997	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.5M Mg form, 0.1 M Bis-Tris pH 6.5