1TU6
Cathepsin K complexed with a ketoamide inhibitor
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 | 2000-03-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.179, 66.776, 107.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.750 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q6k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
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] | 19.860 | 1.860 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.031 | 0.120 |
Number of reflections | 83846 | |
<I/σ(I)> | 9.35 | |
Completeness [%] | 96.0 | 89.7 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M ammonium sulfate, 30% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |