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 |