1V3O
Crystal structure of d(GCGAGAGC): the DNA quadruplex structure split from the octaplex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-27 |
Detector | OXFORD PX210 |
Wavelength(s) | 0.90 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 34.650, 42.490, 64.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.000 - 1.700 |
Rwork | 0.262 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v3n |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.096 | 0.137 |
Number of reflections | 5269 | |
<I/σ(I)> | 4.2 | 1.9 |
Completeness [%] | 96.5 | 100 |
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 |