9S60

Structural and proteomics analysis of the mouse cathepsin B - DARPin 4m3 complex reveals determinants of species - specific binding

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	52.640, 109.920, 142.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.690
R-factor	0.1931
Rwork	0.193
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Phasing software	PHASER
Refinement software	MAIN (version 2022)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	4.990
High resolution limit [Å]	1.670	1.670
Number of reflections	96786	15447
<I/σ(I)>	23.14
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.999	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M BisTris (pH=6.5), 20% PEG 3350, 0.2 M Na-acetate, 3 protein/2 cry.cond.