9XHR
Crystal Structure of Human Cathepsin B with a D-peptide substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-11-03 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.098, 81.331, 94.219 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.800 - 1.500 |
| R-factor | 0.14792 |
| Rwork | 0.147 |
| R-free | 0.16969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.908 |
| Data reduction software | HKL-3000 (7.21) |
| Data scaling software | HKL-3000 (7.21) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.800 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.057 | 0.236 |
| Rmeas | 0.062 | 0.275 |
| Rpim | 0.023 | 0.137 |
| Number of reflections | 39111 | 3823 |
| <I/σ(I)> | 18.48 | 4.09 |
| Completeness [%] | 99.7 | 98.79 |
| Redundancy | 5.7 | 3.7 |
| CC(1/2) | 0.999 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.1 M bicine, 20% PEG 10K |
