4DMX
Cathepsin K inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.362, 83.958, 35.999 |
| Unit cell angles | 90.00, 109.96, 90.00 |
Refinement procedure
| Resolution | 83.000 - 1.700 |
| R-factor | 0.15839 |
| Rwork | 0.156 |
| R-free | 0.20574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 19225 | |
| <I/σ(I)> | 3.2 | |
| Completeness [%] | 96.6 | 81 |
| Redundancy | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | PEG, pH 5.5, VAPOR DIFFUSION, temperature 293K |
