7Q8J

Peptide IILKEK in complex with human cathepsin V C25S mutant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	93.820, 93.820, 125.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 1.640
R-factor	0.1928
Rwork	0.193
R-free	0.21750
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	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	68909	10897
<I/σ(I)>	21.01
Completeness [%]	99.8
Redundancy	12.87
CC(1/2)	1.000	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	77 % MPD, 23 % of 60 mM TRIS, pH 8