9R44

Crystal structure of human caspase-9 CARD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	39.915, 86.394, 129.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.230 - 2.460
R-factor	0.2112
Rwork	0.207
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.452
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.230	2.550
High resolution limit [Å]	2.460	2.460
Rmerge	0.173	0.930
Rmeas	0.188	0.990
Rpim	0.073	0.386
Number of reflections	17006	1660
<I/σ(I)>	9.4	2.3
Completeness [%]	99.9	99.9
Redundancy	6.6	6.7
CC(1/2)	0.995	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.5 M Lithium sulfate, 0.1 M Sodium HEPES, and pH 7.5 Protein concentration: 15 mg/ml Buffer in: 20 mM Hepes, 50 mM NaCl, 2 mM TCEP, and pH 7.5