6AO4

Crystal structure of the human 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 21 21 2
Unit cell lengths	47.750, 108.540, 45.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.050 - 2.901
R-factor	0.236
Rwork	0.232
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ao3
RMSD bond length	0.008
RMSD bond angle	1.195
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]	42.300	2.980
High resolution limit [Å]	2.900	2.900
Number of reflections	5664	402
<I/σ(I)>	17.5	1.8
Completeness [%]	99.9	100
Redundancy	6.67	7.19
CC(1/2)	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	2.1 M DL-malic acid, pH 7.0