6KMU

P22/P10 complex of caspase-11 mutant C254A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97892
Spacegroup name	P 1 21 1
Unit cell lengths	61.971, 102.002, 99.744
Unit cell angles	90.00, 93.52, 90.00

Refinement procedure

Resolution	49.780 - 2.100
R-factor	0.2109
Rwork	0.210
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmt
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.780	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.057	0.369
Number of reflections	71527	5274
<I/σ(I)>	11.81	2.72
Completeness [%]	97.7
Redundancy	3.41
CC(1/2)	0.997	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM HEPES (pH 7.5), 12% (w/v) polyethylene glycol 3350, and 4% formaldehyde