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 |