7Q8H

Peptide EVCKKKK 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	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00
Spacegroup name	P 43 21 2
Unit cell lengths	93.750, 93.750, 124.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.870 - 1.750
R-factor	0.1623
Rwork	0.162
R-free	0.18420
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	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	56400	5475
<I/σ(I)>	14.06
Completeness [%]	99.8
Redundancy	10.1
CC(1/2)	0.998	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	77% MPD, 23 % of 60 mM TRIS, pH 8