6W8S

Crystal structure of metacaspase 4 from Arabidopsis

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	2019-02-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.61
Spacegroup name	P 21 21 2
Unit cell lengths	125.910, 284.440, 57.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.804 - 3.484
R-factor	0.2518
Rwork	0.250
R-free	0.28390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w8r
RMSD bond length	0.007
RMSD bond angle	1.418
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	3.560
High resolution limit [Å]	3.470	3.470
Number of reflections	27566	1761
<I/σ(I)>	8.1
Completeness [%]	98.9
Redundancy	44.3
CC(1/2)	0.997	0.605

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