6TZQ
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 | 37.377, 37.377, 98.651 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.880 - 2.290 |
| R-factor | 0.2223 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tzr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.565 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.330 | 49.330 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.870 | 2.290 |
| Rmerge | 0.138 | 0.061 | 1.653 |
| Rmeas | 0.142 | 0.063 | 1.702 |
| Rpim | 0.035 | 0.018 | 0.400 |
| Total number of observations | 68659 | 1198 | 6726 |
| Number of reflections | 3955 | 94 | 373 |
| <I/σ(I)> | 8.2 | 22 | 1.4 |
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 17.4 | 12.7 | 18 |
| CC(1/2) | 1.000 | 1.000 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 30% PEG 400, 20 mM barium chloride, 10 mM spermidine, 30 mM Bis-Tris pH 8.5; Equilibrated against 5% PEG 400 and 4 ul of glacial acetic acid |
