2DC9
X-ray crystal structure analysis of bovine spleen cathepsin B-CA074Me complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-18 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.320, 72.320, 139.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.990 - 1.940 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.22100 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| Starting model (for MR) | 1ito |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.250 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.034 | 0.091 |
| Number of reflections | 28199 | |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 9.3 | 9.18 |
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 |
