9L8F
Crystal structure of RhoBAST aptamer in complex with TMR
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-25 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 84.462, 84.462, 107.316 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.220 - 2.510 |
| R-factor | 0.2312 |
| Rwork | 0.229 |
| R-free | 0.26000 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.262 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.270 | 2.650 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.072 | |
| Number of reflections | 36717 | 36717 |
| <I/σ(I)> | 41.1 | |
| Completeness [%] | 94.5 | |
| Redundancy | 35.5 | |
| CC(1/2) | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.01 M Magnesium sulfate heptahydrate, 0.05 M Sodium cacodylate trihydrate pH 7.1, 2.2 M Ammonium sulfate |
