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 |