7XR8

Structure of the S8 family protease A4095

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	79.617, 76.657, 84.314
Unit cell angles	90.00, 96.82, 90.00

Refinement procedure

Resolution	39.530 - 1.940
R-factor	0.1801
Rwork	0.178
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6f9m
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.530	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.117	0.406
Rmeas	0.141	0.498
Rpim	0.078	0.285
Number of reflections	73208	6344
<I/σ(I)>	15.9	2.6
Completeness [%]	99.2	89.3
Redundancy	3.2	2.8
CC(1/2)	0.961	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M potassium thiocyanate, 0.1 M Bis-Tris propane (pH 6.5), and 20% (w/v) PEG 3350