7WR4

Crystal structure of OspC3-calmodulin-caspase-4 complex

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	2021-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	P 2 21 21
Unit cell lengths	61.041, 118.473, 146.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.600 - 2.750
R-factor	0.2349
Rwork	0.232
R-free	0.26980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wr3 7wr0
RMSD bond length	0.003
RMSD bond angle	0.541
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]	43.600	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.061	1.246
Rmeas	0.063
Number of reflections	28191	2043
<I/σ(I)>	28.12	2.28
Completeness [%]	99.4
Redundancy	13.06
CC(1/2)	1.000	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG3350, 0.1 M HEPES pH 7.4, 0.2 M Ammonium sulfate, 0.3 M NDSB-195