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 |