2AUZ
Cathepsin K complexed with a semicarbazone inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-12 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 56.704, 56.704, 130.375 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.000 - 2.300 |
| Rwork | 0.193 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1atk |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.210 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.053 | 0.112 |
| Number of reflections | 9442 | |
| <I/σ(I)> | 37 | 14 |
| Completeness [%] | 95.1 | 88.4 |
| Redundancy | 4.7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 0.2M ammonium sulfate, 30% PEG8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP |
