4DMY
Cathepsin K inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.90005 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.927, 69.554, 90.645 |
| Unit cell angles | 90.00, 99.83, 90.00 |
Refinement procedure
| Resolution | 54.880 - 1.630 |
| R-factor | 0.13086 |
| Rwork | 0.128 |
| R-free | 0.19008 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.219 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.900 | 1.700 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 47594 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 97.5 | 87.7 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | PEG, pH 5.5, VAPOR DIFFUSION, temperature 293K |
