6XRQ
Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96864 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.177, 43.974, 30.781 |
Unit cell angles | 90.00, 108.39, 90.00 |
Refinement procedure
Resolution | 27.690 - 1.210 |
R-factor | 0.1999 |
Rwork | 0.199 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jjh |
RMSD bond length | 0.025 |
RMSD bond angle | 2.001 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.703 | 27.703 | 1.230 |
High resolution limit [Å] | 1.210 | 6.630 | 1.210 |
Rmerge | 0.066 | 0.073 | 0.599 |
Rmeas | 0.072 | 0.080 | 0.718 |
Rpim | 0.028 | 0.032 | 0.387 |
Number of reflections | 21248 | 151 | 628 |
<I/σ(I)> | 11.8 | ||
Completeness [%] | 94.1 | 99.3 | 56.5 |
Redundancy | 5.7 | 6.2 | 3.1 |
CC(1/2) | 0.998 | 0.989 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | Potassium cacodylate, Potassium chloride, Sodium cacodylate, MPD |