7QNS
Peptide VYEKKP 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 | 2016-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.970, 93.970, 124.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 1.400 |
| R-factor | 0.1768 |
| Rwork | 0.177 |
| R-free | 0.20130 |
| 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 | 1.448 |
| High resolution limit [Å] | 1.398 | 1.398 |
| Number of reflections | 109339 | 10400 |
| <I/σ(I)> | 25.15 | |
| Completeness [%] | 99.6 | |
| Redundancy | 12.5 | |
| CC(1/2) | 1.000 | 0.527 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 77 % MPD, 23 % of 60 mM TRIS, pH 8 |
