3HHI
Crystal Structure of Cathepsin B from T. brucei in complex with CA074
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.881, 75.134, 75.900 |
| Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
| Resolution | 48.850 - 1.600 |
| R-factor | 0.14817 |
| Rwork | 0.147 |
| R-free | 0.17809 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1the |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.726 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.850 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.093 | 0.687 |
| Number of reflections | 74519 | |
| <I/σ(I)> | 17.6 | 4.8 |
| Completeness [%] | 96.9 | 95.5 |
| Redundancy | 9.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 1M LiCl, 10% PEG 3350, 0.2M Tris-HCl pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
