8TWH
Crystal structure of (GGGTT)3GGG G-quadruplex in complex with small molecule ligand RHPS4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 183 |
Detector technology | PIXEL |
Collection date | 2019-06-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.162, 62.667, 256.675 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 128.340 - 2.470 |
R-factor | 0.2968 |
Rwork | 0.295 |
R-free | 0.31750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.610 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 128.340 | 2.570 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.121 | 0.728 |
Rmeas | 0.136 | 0.829 |
Number of reflections | 21360 | 2268 |
<I/σ(I)> | 6.6 | 1.5 |
Completeness [%] | 97.8 | 92.6 |
Redundancy | 4 | 3.8 |
CC(1/2) | 0.971 | 0.844 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | sodium formate, PEG 20000, Bis-tris pH 7.0 |