8AND
Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari
This is a non-PDB format compatible entry.
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 | 2021-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.508, 97.867, 38.626 |
| Unit cell angles | 90.00, 101.91, 90.00 |
Refinement procedure
| Resolution | 37.790 - 1.991 |
| Rwork | 0.199 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.790 | 2.062 |
| High resolution limit [Å] | 1.990 | 1.991 |
| Rmerge | 0.080 | |
| Number of reflections | 14976 | 1387 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 98.5 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.997 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1 M calcium chloride dihydrate, 20% w/v PEG 6000, 10% v/v ethylene glycol |
