7Q8K
Peptide LLKVAL 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 | 2015-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9164 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 96.110, 96.110, 125.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.060 - 1.740 |
R-factor | 0.1739 |
Rwork | 0.174 |
R-free | 0.19580 |
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 | 1.850 |
High resolution limit [Å] | 1.740 | 1.740 |
Number of reflections | 60134 | 9337 |
<I/σ(I)> | 14.89 | |
Completeness [%] | 99.5 | |
Redundancy | 13.28 | |
CC(1/2) | 0.999 | 0.741 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 77 % MPD, 23 % of 60 mM TRIS, pH 8 |