5MBM

Cathepsin B in complex with DARPin 8h6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.918007
Spacegroup name	P 21 21 2
Unit cell lengths	101.450, 201.520, 46.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.700 - 2.760
R-factor	0.2808
Rwork	0.256
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	cathepsin B and ankirin
Data reduction software	XDS (2016)
Data scaling software	XDS (2016)
Phasing software	PHASER
Refinement software	MAIN (2016)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	2.930
High resolution limit [Å]	2.760	2.760
Rmerge	0.170	1.010
Number of reflections	25129
<I/σ(I)>	10.9	1.6
Completeness [%]	98.6	93
Redundancy	6.2	6.4
CC(1/2)	0.990	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0,1 M Na-citrate 15% PEG6000