8D78
Crystal structure of a Ba stabilized four-tetrad, parallel Tetrahymena thermophila telomeric G-quadruplex in complex with N-methyl mesoporphyrin IX
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 | 2021-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 35.081, 35.081, 103.191 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.400 - 2.120 |
R-factor | 0.2561 |
Rwork | 0.255 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w9p |
RMSD bond length | 0.004 |
RMSD bond angle | 1.233 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.18_3845) |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 103.190 | 2.180 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.110 | 1.071 |
Rmeas | 0.127 | |
Rpim | 0.061 | 0.552 |
Number of reflections | 4315 | 368 |
<I/σ(I)> | 6.9 | 1.3 |
Completeness [%] | 98.9 | 100 |
Redundancy | 4.4 | 4.8 |
CC(1/2) | 0.997 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Well condition contained 0.6-1 M sodium formate, 12-16% PEG 20K, 0.05 M Bis Tris pH 7.0 |