9M6D
Crystal structure of xanthine/guanine RNA aptamer (P1-12bp) with 3-methylxanthine
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 | 2023-12-09 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 208.370, 22.600, 44.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.560 - 2.180 |
| R-factor | 0.2468 |
| Rwork | 0.245 |
| R-free | 0.27880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.097 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.730 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.154 | 1.251 |
| Rpim | 0.065 | 0.561 |
| Number of reflections | 11974 | 878 |
| <I/σ(I)> | 8.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.9 | |
| CC(1/2) | 0.993 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.08 M Potassium chloride 0.02 M Magnesium chloride hexahydrate 50% v/v (+/-)-2-Methyl-2,4-pentanediol 0.012 M Spermine tetrahydrochloride |
