5K6D
Structure of FS50 an antagonist of NaV1.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.96862 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 60.251, 66.627, 42.285 |
| Unit cell angles | 90.00, 121.69, 90.00 |
Refinement procedure
| Resolution | 22.053 - 1.139 |
| R-factor | 0.1677 |
| Rwork | 0.167 |
| R-free | 0.17390 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.065 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 22.000 | 1.160 |
| High resolution limit [Å] | 1.139 | 3.090 | 1.140 |
| Rmerge | 0.038 | 0.018 | 0.279 |
| Number of reflections | 51089 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 98.7 | 98.9 | 93.9 |
| Redundancy | 3.6 | 3.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% PEG 6000, 0.1 M bicine, pH 9 |
