8VIS

Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide

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	2023-07-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 43 21 2
Unit cell lengths	119.676, 119.676, 134.289
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.770 - 1.590
R-factor	0.15535
Rwork	0.155
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.611
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]	50.000	50.000	2.430
High resolution limit [Å]	1.590	6.480	2.390
Rmerge	0.233	0.059	2.004
Rmeas	0.261	0.066	2.256
Rpim	0.115	0.028	1.025
Number of reflections	129049	3312	3279
<I/σ(I)>	6.5
Completeness [%]	99.8	99.3	99.7
Redundancy	4.8	5.4	4.3
CC(1/2)	0.954	0.997	0.269

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.5 uL protein (30 mg/mL; in 50 mM Tris pH 8.0, 200 mM NaCl) mixed 1:1 with precipitant (20%PEG1500, 0.2M MgCl2, 0.1M HEPES pH 7.5) through automated addition with Art Robbin Phoenix robot.