8EBO
Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 196 |
Detector technology | PIXEL |
Collection date | 2021-12-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 42.053, 47.474, 119.597 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.710 - 1.980 |
R-factor | 0.2362 |
Rwork | 0.231 |
R-free | 0.27890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g0f |
RMSD bond length | 0.014 |
RMSD bond angle | 1.934 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.440 | 2.030 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.049 | |
Rmeas | 0.054 | |
Rpim | 0.023 | 0.894 |
Number of reflections | 4296 | 279 |
<I/σ(I)> | 15.1 | 0.7 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 5.8 | 6.3 |
CC(1/2) | 0.999 | 0.351 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 285.15 | The well condition included 0.012 M NaCl, 0.08-0.1 M KCl, 0.04 M sodium cacodylate pH 5.5, 45% MPD, and 0.002 M hexammine cobalt(III) chloride |