6S3A
Coxsackie B3 2C protein in complex with S-Fluoxetine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.398, 53.183, 79.152 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.140 - 1.520 |
| R-factor | 0.1853 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.140 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.078 | 0.800 |
| Rmeas | 0.078 | 0.900 |
| Rpim | 0.033 | 0.390 |
| Number of reflections | 33298 | 3154 |
| <I/σ(I)> | 13.69 | 1.89 |
| Completeness [%] | 98.2 | 94.87 |
| Redundancy | 5.5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Mes 0.1M pH 6,5, PEG 5000 27, 2M ammonium sulfate |
