6KXG

Crystal structure of caspase-11-CARD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	77.310, 145.160, 187.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.668 - 2.805
R-factor	0.3075
Rwork	0.305
R-free	0.34010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1omp
RMSD bond length	0.011
RMSD bond angle	1.173
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.800	2.800
Rmeas	0.069	0.826
Number of reflections	51251	7804
<I/σ(I)>	20.64	2.03
Completeness [%]	97.3	92.9
Redundancy	5.89	5.77
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	2.4M ammonium sulfate 5% isopropanol