2DZ7
DNA Octaplex Formation with an I-Motif of A-Quartets: The Revised Crystal Structure of d(GCGAAAGC)
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 | 2001-10-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 36.909, 36.909, 64.337 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.600 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1UE3(PDB code) |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.063 | 0.305 |
| Number of reflections | 3359 | |
| <I/σ(I)> | 15.3 | 3.3 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 10.7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | sodium chloride, magnesium chloride, spermine 4HCl, 2-methyl-2,4-pentanediol, sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium chloride | ||
| 10 | 1 | 2 | HOH | ||
| 2 | 1 | 1 | magnesium chloride | ||
| 3 | 1 | 1 | spermine 4HCl | ||
| 4 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 5 | 1 | 1 | sodium cacodylate | ||
| 6 | 1 | 1 | HOH | ||
| 7 | 1 | 2 | sodium chloride | ||
| 8 | 1 | 2 | magnesium chloride | ||
| 9 | 1 | 2 | sodium cacodylate |
