6AO3

Crystal structure of the murine gasdermin D C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9800
Spacegroup name	P 1
Unit cell lengths	45.300, 56.840, 81.840
Unit cell angles	94.86, 102.79, 98.99

Refinement procedure

Resolution	34.760 - 1.760
R-factor	0.1625
Rwork	0.161
R-free	0.18570
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.200	1.810
High resolution limit [Å]	1.760	1.760
Number of reflections	75173	5506
<I/σ(I)>	10.1	2.07
Completeness [%]	97.1	95.8
Redundancy	2.93	2.88
CC(1/2)	0.995	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	25% (v/v) polyethylene glycol (PEG) 3350, 0.1 M Bis-Tris (pH 5.5), 0.2 M MgCl2