6P45
Crystal structure of the G-quadruplex formed by (TGGGT)4 in complex with N-methylmesoporphryin 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 | 2018-03-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 63 |
Unit cell lengths | 59.280, 59.280, 63.332 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.338 - 2.339 |
Rwork | 0.200 |
R-free | 0.22430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fxm |
RMSD bond length | 0.010 |
RMSD bond angle | 1.744 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.340 | 2.423 |
High resolution limit [Å] | 2.339 | 2.339 |
Rmerge | 0.078 | |
Rmeas | 0.083 | |
Rpim | 0.027 | |
Number of reflections | 5377 | 498 |
<I/σ(I)> | 14.9 | 1 |
Completeness [%] | 98.8 | 92.39 |
Redundancy | 9.5 | 6.1 |
CC(1/2) | 1.000 | 0.367 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 3.5 M lithium chloride, 0.03 M magnesium chloride, 0.05 M HEPES sodium pH 7.0 |