6NS7

Crystal structure of murine caspase-11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	120.712, 121.092, 78.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.927 - 2.400
R-factor	0.1963
Rwork	0.194
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e4c
RMSD bond length	0.010
RMSD bond angle	1.320
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.930	2.486
High resolution limit [Å]	2.400	2.400
Rmeas	0.124
Number of reflections	86796	14012
<I/σ(I)>	10.62	1.57
Completeness [%]	100.0	99.8
Redundancy	7	6.9
CC(1/2)	0.998	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	25mM Bis-Tris, 0.2M ammonium sulfate, and 25% PEG3350