3TVB
A Highly Symmetric DNA G-4 Quadruplex/drug Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.006 |
| Spacegroup name | I 4 |
| Unit cell lengths | 40.209, 40.209, 49.831 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.080 |
| R-factor | 0.1618 |
| Rwork | 0.159 |
| R-free | 0.20230 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.130 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.072 | 0.273 |
| Number of reflections | 21428 | |
| <I/σ(I)> | 81.79 | 15.14 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 66.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Sitting drop | 7 | 277 | NATRIX NR46 droplets 0.005 M Magnesium sulfate, 0.05 M Tris HCl buffer at pH 8.5, 35% w/v 1,6-hexane diol, Sitting drop, temperature 277K |
