9I15

Crystal structure of SET cleaved after Asn175 by legumain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-30
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967
Spacegroup name	P 1 21 1
Unit cell lengths	53.540, 78.170, 55.120
Unit cell angles	90.00, 91.88, 90.00

Refinement procedure

Resolution	45.030 - 2.470
R-factor	0.2255
Rwork	0.223
R-free	0.27730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.530
High resolution limit [Å]	2.470	2.470
Rmerge		1.789
Rmeas	0.140	1.925
Number of reflections	16297	1149
<I/σ(I)>	8.7
Completeness [%]	98.8
Redundancy	6.3
CC(1/2)	0.990	0.202

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.75	293	26 % PEG 400, 0.2 M calcium chloride dihydrate and 0.1 M Hepes pH 6.75