9K1S

Crystal structure of human granzyme A in complex with GSDMB-C domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-10-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	93.739, 117.421, 123.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 2.690
R-factor	0.2367
Rwork	0.236
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.576
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.690	2.690
Rmerge	0.071	0.947
Rmeas	0.074	0.984
Number of reflections	38575	2766
<I/σ(I)>	24.51	2.79
Completeness [%]	99.8	98.1
Redundancy	13.2	13.5
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4% Tacsimate pH8.0, 12% PEG3350