7QHK

Peptide QLRQQE in complex with human cathepsin V C25A mutant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.89429
Spacegroup name	P 43 21 2
Unit cell lengths	93.690, 93.690, 124.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.420 - 1.830
R-factor	0.1731
Rwork	0.173
R-free	0.20000
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	1.891
High resolution limit [Å]	1.826	1.826
Number of reflections	48203	3949
<I/σ(I)>	18.16
Completeness [%]	96.5
Redundancy	7
CC(1/2)	1.000	0.869

Crystallization Conditions

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