3C9E
Crystal structure of the cathepsin K : chondroitin sulfate complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2002-03-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0500 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.000, 143.900, 87.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.20900 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.215 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.142 | 0.742 |
| Number of reflections | 25031 | |
| <I/σ(I)> | 7.3 | 1.9 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Cathepsin K:chondroitin sulfate complex was made at 1:1 ratio. Precipitant contained 30% MPD, 0.1M sodium acetate buffer, 20mM calcium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, VAPOR DIFFUSION, HANGING DROP |
