7WR0

P32 of caspase-4 C258A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2017-02-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	77.571, 77.571, 85.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.160 - 2.800
R-factor	0.2411
Rwork	0.238
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmt
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.910	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.071	0.898
Rmeas	0.073	0.923
Number of reflections	7706	551
<I/σ(I)>	35.98	3.66
Completeness [%]	99.5
Redundancy	18.72
CC(1/2)	1.000	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG3350, 0.2 M potassium chloride