2AVJ
G4(Br)UTTG4 dimeric quadruplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 99 |
| Detector technology | CCD |
| Collection date | 2005-05-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9199 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.681, 33.309, 79.234 |
| Unit cell angles | 90.00, 91.49, 90.00 |
Refinement procedure
| Resolution | 24.400 - 2.390 |
| R-factor | 0.172 |
| Rwork | 0.168 |
| R-free | 0.24200 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.724 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.460 | 2.490 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.032 | 0.062 |
| Number of reflections | 6534 | |
| Completeness [%] | 94.5 | 89.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | under oil evaporation | 6.5 | 293.15 | sodium iodide, sodium cacodylate, PEG 400, pH 6.5, under oil evaporation, temperature 293.15K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium iodide | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | PEG 400 | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | sodium iodide | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | PEG 400 | ||
| 8 | 1 | 2 | H2O |
