9N3D

Crystal structure of Arabidopsis metacaspase 9 C147G at pH 4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	I 1 2 1
Unit cell lengths	72.829, 54.516, 81.010
Unit cell angles	90.00, 97.09, 90.00

Refinement procedure

Resolution	36.140 - 1.700
R-factor	0.2013
Rwork	0.200
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.403
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.140	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	45945	2358
<I/σ(I)>	17
Completeness [%]	76.7
Redundancy	6.97
CC(1/2)	0.997	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Sodium chloride, Phosphate/citrate, PEG 8000