3K9M
Cathepsin B in complex with stefin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-31 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 1 |
| Unit cell lengths | 62.122, 31.078, 70.937 |
| Unit cell angles | 89.95, 104.45, 89.90 |
Refinement procedure
| Resolution | 40.520 - 2.610 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1NB3 and 1SP4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.709 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.084 | 0.206 |
| Number of reflections | 14361 | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 92.6 | 71.2 |
| Redundancy | 2.6 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium suphate, 24% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
