8TAA
Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
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 | 2022-10-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97918 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 30.897, 30.897, 141.543 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.390 - 1.450 |
R-factor | 0.2125 |
Rwork | 0.211 |
R-free | 0.23070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.728 |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 141.540 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.049 | 1.789 |
Rmeas | 0.051 | 1.866 |
Rpim | 0.015 | 0.523 |
Number of reflections | 13141 | 647 |
<I/σ(I)> | 21 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.2 | |
CC(1/2) | 0.999 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2mM Spermine, 45% MPD, 0.08M Nacl, 0.04M NaCaCo pH 6.0 |