6Y7Q
Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 32.784, 32.784, 200.681 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.221 - 1.390 |
| Rwork | 0.184 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hqa |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.234 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.900 | 66.900 | 1.430 |
| High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
| Rmerge | 0.061 | ||
| Number of reflections | 23496 | 371 | 1709 |
| <I/σ(I)> | 13.9 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 11.9656537283 | ||
| CC(1/2) | 0.999 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | hERG3 PAS domain (15 mg/ml, in 50 mM NaCl, 1 mM TCEP in a 1:1 ratio with reservoir solution (0.1 M NaCl, 0.1 M HEPES pH=7.5, 1.6 M (NH4)2SO4 |
