5MBL
Cathepsin B in complex with DARPin 81
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.918007 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 105.790, 105.790, 92.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.100 - 1.810 |
| R-factor | 0.1697 |
| Rwork | 0.170 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | cathepsin B and ankirin |
| Data reduction software | XDS (2014) |
| Data scaling software | XDS (2014) |
| Phasing software | PHASER |
| Refinement software | MAIN (2016) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 1.920 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.066 | 0.600 |
| Number of reflections | 48460 | |
| <I/σ(I)> | 26.7 | 4.02 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 13 | 13.4 |
| CC(1/2) | 1.000 | 0.956 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | buffer: 50mM Tris/HCl, 300mM NaCl, 0.05% Tween-20 precipitant: 0.1M MES, 1.8M NH4SO4 |
