7QHJ
Peptide GAKSAA 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 | 94.310, 94.310, 125.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.670 - 1.400 |
R-factor | 0.1858 |
Rwork | 0.186 |
R-free | 0.21260 |
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 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 124220 | 12219 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 99.6 | |
Redundancy | 13.44 | |
CC(1/2) | 1.000 | 0.217 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 77 % MPD, 23 % of 60 mM TRIS, pH 8 |