7Q8K

Peptide LLKVAL in complex with human cathepsin V C25S mutant

This is a non-PDB format compatible entry.

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	2015-02-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9164
Spacegroup name	P 43 21 2
Unit cell lengths	96.110, 96.110, 125.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 1.740
R-factor	0.1739
Rwork	0.174
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fh0
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	MAIN

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.740	1.740
Number of reflections	60134	9337
<I/σ(I)>	14.89
Completeness [%]	99.5
Redundancy	13.28
CC(1/2)	0.999	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		278	77 % MPD, 23 % of 60 mM TRIS, pH 8