7WR1

P32 of caspase-4 C258A mutant in complex with OspC3 C-terminal ankyrin-repeat domain

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	2018-03-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 1 21 1
Unit cell lengths	76.639, 59.751, 121.746
Unit cell angles	90.00, 104.08, 90.00

Refinement procedure

Resolution	46.570 - 2.130
R-factor	0.1714
Rwork	0.170
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wr0
RMSD bond length	0.004
RMSD bond angle	0.595
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]	46.580	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.072	0.448
Rmeas	0.078	0.492
Number of reflections	59327	3988
<I/σ(I)>	17.83	4.04
Completeness [%]	98.9	91
Redundancy	6.7	5.77
CC(1/2)	0.998	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	5% PEG8000, 0.1M Tris-HCl pH 7.5, % 2-propanol