2FTD
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2002-04-01 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 74.874, 74.874, 339.555 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 2.550 |
| Rwork | 0.237 |
| R-free | 0.28370 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.296 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Number of reflections | 17372 | |
| <I/σ(I)> | 19 | 10.2 |
| Completeness [%] | 89.2 | 65 |
| Redundancy | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 28% PEG 400 as precipitant, in 0.1 M Hepes buffer, at pH 7.5 containing 0.2 M CaCl2, temperature 283K, VAPOR DIFFUSION, SITTING DROP |
