6KMZ

caspase-4 P22/P10 C258A in complex with human GSDMD-C domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97891
Spacegroup name	P 43 2 2
Unit cell lengths	140.568, 140.568, 329.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.480 - 3.610
R-factor	0.3116
Rwork	0.311
R-free	0.31910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmu
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	3.700
High resolution limit [Å]	3.610	3.610
Rmerge	0.094	1.106
Number of reflections	38808	2781
<I/σ(I)>	13.83	1.8
Completeness [%]	99.5	97.7
Redundancy	6.43
CC(1/2)	0.999	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris-HCl pH 7.5, 200 mM sodium tartrate, 20% (w/v) polyethylene glycol 3350, 5% glycerol and 4% 1,1,1,3,3,3-hexafluoro-2-propanol