7Q8D

Peptide TRESEDLE 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	2017-12-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	93.820, 93.820, 124.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.960 - 1.800
R-factor	0.1744
Rwork	0.174
R-free	0.19780
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	1.860
High resolution limit [Å]	1.800	1.800
Number of reflections	52245	5035
<I/σ(I)>	18.53
Completeness [%]	99.6
Redundancy	13.7
CC(1/2)	0.999	0.647

Crystallization Conditions

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