6T3W
Coxsackie B3 2C protein in complex with S-Fluoxetine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.992, 53.008, 79.369 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.685 - 1.820 |
| R-factor | 0.1965 |
| Rwork | 0.194 |
| R-free | 0.22160 |
| Structure solution method | SAD |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.685 | 1.880 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.062 | |
| Number of reflections | 18771 | 1846 |
| <I/σ(I)> | 21.73 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 9.3 |
| CC(1/2) | 1.000 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES 0,1M pH 6,5 PEG 5000 28 % 0.2M ammonium sulfate ATP 100mM |
