5DZU
Structure of potato cathepsin D inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.917 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.458, 124.769, 37.876 |
| Unit cell angles | 90.00, 95.14, 90.00 |
Refinement procedure
| Resolution | 64.380 - 2.120 |
| R-factor | 0.19544 |
| Rwork | 0.191 |
| R-free | 0.26979 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tc2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS (31.10.2011) |
| Data scaling software | Aimless (0.5.7) |
| Phasing software | MOLREP (11.3.02) |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.900 | 2.170 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.073 | 0.969 |
| Number of reflections | 19145 | |
| <I/σ(I)> | 8.3 | 0.8 |
| Completeness [%] | 96.0 | 70.8 |
| Redundancy | 3.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 2.0 M NaCl, 10% PEG 6000 |
