7QFF

Peptide VACKSSQP 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 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	94.400, 94.400, 126.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.200 - 1.500
R-factor	0.1691
Rwork	0.169
R-free	0.19440
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	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	91924	8990
<I/σ(I)>	32.9
Completeness [%]	99.9
Redundancy	13.8
CC(1/2)	1.000	0.768

Crystallization Conditions

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