9BUN
RhoBAST aptamer RNA in complex with 5(6)-carboxytetramethylrhodamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-24 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.09720 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.424, 174.242, 87.791 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.236 - 2.100 |
| R-factor | 0.2172 |
| Rwork | 0.216 |
| R-free | 0.24060 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.627 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.14-3260-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.450 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.102 | 8.150 |
| Rmeas | 0.103 | 8.239 |
| Rpim | 0.013 | 1.180 |
| Total number of observations | 3750599 | 188221 |
| Number of reflections | 58528 | 4067 |
| <I/σ(I)> | 34.2 | 0.6 |
| Completeness [%] | 99.9 | |
| Redundancy | 64.1 | 46.3 |
| CC(1/2) | 1.000 | 0.319 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 40 mM sodium cacodylate, 12 mM sodium chloride, 80 mM potassium chloride, 5% MPD, 20 mM spermine tetrahydrochloride |
