6VIE

Structure of caspase-1 in complex with gasdermin D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	138.500, 202.610, 124.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.520 - 3.400
R-factor	0.289
Rwork	0.288
R-free	0.31430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6n9n 6bz9
RMSD bond length	0.003
RMSD bond angle	0.781
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.520	78.520	3.490
High resolution limit [Å]	3.400	15.210	3.400
Rmerge	0.067	0.020	2.070
Rmeas	0.073	0.022	2.240
Rpim	0.028		0.853
Number of reflections	24394	317	1768
<I/σ(I)>	16.69	64.15	1
Completeness [%]	99.9	98.8	99.3
Redundancy	6.906	5.647	6.906
CC(1/2)	1.000	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2 M Ammonium citrate tribasic pH 7.0, 20% PEG3350