1V3N
Crystal structure of d(GCGAGAGC): the DNA quadruplex structure split from the octaplex
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0, 0.91961, 0.92020 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 33.810, 43.470, 64.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.000 - 1.800 |
| Rwork | 0.225 |
| R-free | 0.24900 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.050 | 0.265 |
| Number of reflections | 4543 | |
| <I/σ(I)> | 7.7 | 2.6 |
| Completeness [%] | 98.1 | 88.6 |
| Redundancy | 6.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 2-methyl-2,4-pentanediol, spermine tetrahydrochloride, sodium chloride, potassium chloride, sodium cacodylate , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 2 | 1 | 1 | spermine tetrahydrochloride | ||
| 3 | 1 | 1 | sodium chloride | ||
| 4 | 1 | 1 | potassium chloride | ||
| 5 | 1 | 1 | sodium cacodylate | ||
| 6 | 1 | 2 | sodium chloride | ||
| 7 | 1 | 2 | potassium chloride | ||
| 8 | 1 | 2 | sodium cacodylate |
