6TZR
A DNA G-quadruplex/i-motif hybrid
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] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9196 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 37.099, 37.099, 98.309 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.560 - 2.400 |
R-factor | 0.2178 |
Rwork | 0.212 |
R-free | 0.25380 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.770 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.084 | 0.865 |
Rmeas | 0.090 | 0.917 |
Rpim | 0.032 | 0.298 |
Total number of observations | 30095 | 3381 |
Number of reflections | 3399 | 358 |
<I/σ(I)> | 11 | 1.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.9 | 9.4 |
CC(1/2) | 1.000 | 0.984 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 25% PEG 400, 40 mM barium chloride, 10 mM spermidine, 30 mM Bis-Tris pH 8.5; Equilibrated against 5% PEG 400 and 3 ul of glacial acetic acid |