1MEM
Crystal structure of Cathepsin K complexed with a potent vinyl sulfone inhibitor
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-03 |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.820, 50.040, 105.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.800 |
| R-factor | 0.173 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HOMOLOGY MODEL FOR CATHEPSIN K (MEM UNPUBLISHED RESULTS) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 24.000 * |
| Data reduction software | bioteX ((MSC)) |
| Data scaling software | bioteX |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 1.880 | |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 * | 0.170 |
| Total number of observations | 75667 * | |
| Number of reflections | 20293 | |
| <I/σ(I)> | 15 | 3.3 |
| Completeness [%] | 93.0 | 68 |
| Redundancy | 2.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6 | MG FORMATE, UNBUFFERED, pH 6.0 |
