8Q6N
Xanthin riboswitch in complex with oxypurinol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.102 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.811, 85.091, 97.162 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.340 - 2.630 |
| R-factor | 0.2391 |
| Rwork | 0.237 |
| R-free | 0.28190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7elp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.780 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.760 |
| High resolution limit [Å] | 2.630 | 2.660 |
| Rmerge | 0.100 | 1.047 |
| Rpim | 0.013 | 2.900 |
| Number of reflections | 6639 | 332 |
| <I/σ(I)> | 4.2 | 0.2 |
| Completeness [%] | 98.0 | 84.9 |
| Redundancy | 12 | 9.6 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 287 | 0.1M ammonium sulfate, 0.1M sodium chloride, 20% PEG 8000, 1M sodium formate, 50mM Bis-Tris |
