6KMT

P32 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	2017-11-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97855
Spacegroup name	C 1 2 1
Unit cell lengths	157.509, 86.469, 93.229
Unit cell angles	90.00, 123.15, 90.00

Refinement procedure

Resolution	46.550 - 2.600
R-factor	0.2053
Rwork	0.202
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ice
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]	46.550	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.082	0.630
Number of reflections	32377	4668
<I/σ(I)>	9.66	2.27
Completeness [%]	99.1
Redundancy	3.4
CC(1/2)	0.995	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM HEPES (pH 7.5), 26% (w/v) polyethylene glycol 3350, and 180 mM Lithium acetate