2DCD
X-ray crystal structure analysis of bovine spleen cathepsin B-CA078 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-17 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.260, 72.260, 140.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.21600 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | 1ito |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.127 | |
| Number of reflections | 13199 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.3 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 289 | 50mM sodium citrate, 2.4M sodium phosphate, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
