7Q9H

Peptide LLKAVAEKQ 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	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 43 21 2
Unit cell lengths	94.510, 94.510, 124.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 1.400
R-factor	0.1823
Rwork	0.182
R-free	0.20880
Structure solution method	SAD
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	1.370
High resolution limit [Å]	1.290	1.290
Number of reflections	141670	22222
<I/σ(I)>	17.18
Completeness [%]	99.5
Redundancy	13.51
CC(1/2)	1.000	0.356

Crystallization Conditions

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