9DXL
RhoBAST RNA aptamer in complex with the SpyRho555 analogue, MaP555
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-07 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.529, 54.818, 83.513 |
| Unit cell angles | 90.00, 103.26, 90.00 |
Refinement procedure
| Resolution | 19.270 - 2.800 |
| R-factor | 0.2629 |
| Rwork | 0.254 |
| R-free | 0.27060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.495 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmeas | 0.127 | 0.127 |
| Rpim | 0.074 | 0.074 |
| Number of reflections | 8812 | 839 |
| <I/σ(I)> | 9.4 | 2.69 |
| Completeness [%] | 98.0 | 96.2 |
| Redundancy | 2.7 | 2.4 |
| CC(1/2) | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 40 mM MES, 10 mM barium chloride, 80 mM potassium chloride, 25% MPD, 12 mM spermine tetrahydrochloride |
