1V3P
Crystal structure of d(GCGAGAGC): the DNA octaplex structure with I-motif of G-quartet
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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 | 2000-11-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 36.180, 36.380, 63.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.000 - 2.300 |
| Rwork | 0.234 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v3n |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.240 |
| Number of reflections | 1980 | |
| <I/σ(I)> | 7.1 | 2.4 |
| Completeness [%] | 98.4 | 99 |
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 |
