3H7D
The crystal structure of the cathepsin K Variant M5 in complex with chondroitin-4-sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.564, 42.014, 87.509 |
| Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
| Resolution | 40.245 - 2.242 |
| R-factor | 0.1805 |
| Rwork | 0.177 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1atk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.073 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX ((phenix.refine: 1.4_4)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.133 | 0.535 |
| Number of reflections | 24692 | |
| <I/σ(I)> | 10 | 2.5 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 30% MPD, 0.1M acetate buffer, 20mM CaCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
