9VA8
Crystal Structure of Human Cathepsin B with a L-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 | 2025-04-30 |
| Detector | AGILENT ATLAS CCD |
| Wavelength(s) | 1.50004 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 30.617, 75.096, 97.642 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.370 - 1.500 |
| R-factor | 0.17973 |
| Rwork | 0.178 |
| R-free | 0.20882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.732 |
| 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] | 28.400 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 36878 | 3545 |
| <I/σ(I)> | 23.98 | 2.4 |
| Completeness [%] | 99.6 | 97.68 |
| Redundancy | 4.6 | 3 |
| CC(1/2) | 0.992 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane |
