9N3F

Crystal structure of Arabidopsis Metacaspase 9 C147G at pH 7.5

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	73.347, 54.448, 81.075
Unit cell angles	90.00, 97.32, 90.00

Refinement procedure

Resolution	30.750 - 1.400
R-factor	0.2207
Rwork	0.220
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.394
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]	36.370	1.440
High resolution limit [Å]	1.400	1.400
Number of reflections	60144	4135
<I/σ(I)>	6.9
Completeness [%]	96.5
Redundancy	6.91
CC(1/2)	0.985	0.790

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate, Tris, PEG 5000 MME