7Q8I
Peptide AVAEKQ 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) | 0.91840 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 93.480, 93.480, 125.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.740 - 1.590 |
| R-factor | 0.169 |
| Rwork | 0.169 |
| R-free | 0.18930 |
| 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 | 1.690 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Number of reflections | 75479 | 11953 |
| <I/σ(I)> | 17.91 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.45 | |
| CC(1/2) | 0.999 | 0.693 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 77 % MPD, 23 % of 60 mM Tris, pH 8 |
