6W8T

Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	2.0664
Spacegroup name	P 2 2 21
Unit cell lengths	49.345, 58.059, 300.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 3.200
R-factor	0.2878
Rwork	0.286
R-free	0.32110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w8r
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	13981	1027
<I/σ(I)>	6.6
Completeness [%]	93.6
Redundancy	3.5
CC(1/2)	0.980	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	100 mM sodium cacodylate, pH 6.4, 2.1 M ammonium sulfate