7Q8L

Peptide VPCGTAHE 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	2018-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	94.350, 94.350, 127.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.180 - 1.800
R-factor	0.1674
Rwork	0.167
R-free	0.18800
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	1.870
High resolution limit [Å]	1.800	1.800
Number of reflections	53536	5244
<I/σ(I)>	15.7
Completeness [%]	99.9
Redundancy	12.8
CC(1/2)	0.999	0.614

Crystallization Conditions

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