7OA3
Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium hexammine co-crystallized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.1035 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 70.605, 54.026, 87.532 |
| Unit cell angles | 90.00, 95.49, 90.00 |
Refinement procedure
| Resolution | 45.920 - 2.800 |
| R-factor | 0.2262 |
| Rwork | 0.225 |
| R-free | 0.24130 |
| Structure solution method | SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.473 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.920 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.065 | |
| Rmeas | 0.067 | |
| Rpim | 0.018 | |
| Number of reflections | 8215 | 1177 |
| <I/σ(I)> | 13 | 0.6 |
| Completeness [%] | 99.7 | 98 |
| Redundancy | 13.4 | |
| CC(1/2) | 1.000 | 0.534 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | PEG400, MES , spermine tetrahydrochloride, iridium (III) hexamine |
