6KN1

P20/P12 of caspase-11 mutant C254A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-03-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	52.001, 99.941, 58.294
Unit cell angles	90.00, 114.38, 90.00

Refinement procedure

Resolution	46.890 - 1.900
R-factor	0.189
Rwork	0.188
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmu
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]	46.890	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.064	0.291
Number of reflections	42565	3036
<I/σ(I)>	14.2	3.93
Completeness [%]	98.9	95.1
Redundancy	3.47
CC(1/2)	0.996	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate pH 5.7 and 18% (w/v) polyethylene glycol 3350