8XZE
Crystal structure of THF-II riboswitch with THF and soaked with Ir
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 | 2021-10-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.102 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.276, 58.127, 62.096 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.070 - 2.340 |
R-factor | 0.1995 |
Rwork | 0.197 |
R-free | 0.24490 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.079 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.340 | 6.370 | 2.350 |
Rmerge | 0.111 | 0.076 | 1.178 |
Rmeas | 0.116 | 0.080 | 1.228 |
Rpim | 0.033 | 0.024 | 0.342 |
Number of reflections | 14592 | 461 | 398 |
<I/σ(I)> | 3.4 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 12.6 | 11.1 | 12.5 |
CC(1/2) | 0.994 | 0.998 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.08 M Sodium chloride, 0.04 M Sodium cacodylate trihydrate pH 7.0, 30% v/v MPD, 0.012 M Spermine tetrahydrochloride |