8D79
Crystal structure of a four-tetrad, parallel, and Na+ stabilized Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 196 |
| Detector technology | PIXEL |
| Collection date | 2021-02-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 50.284, 34.716, 34.397 |
| Unit cell angles | 90.00, 106.54, 90.00 |
Refinement procedure
| Resolution | 32.970 - 1.990 |
| R-factor | 0.2418 |
| Rwork | 0.241 |
| R-free | 0.25320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6w9p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.333 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.18_3845) |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.970 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.118 | 0.846 |
| Rmeas | 0.140 | |
| Rpim | 0.075 | 0.599 |
| Number of reflections | 3905 | 689 |
| <I/σ(I)> | 9.5 | 0.8 |
| Completeness [%] | 96.2 | 73.1 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.987 | 0.836 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | Well condition contained 100 mM NaCl, 100 mM NaI, 100 mM NaF, 30% MPD, and 50 mM Na cacodylate pH 6.5 |
