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 |