2O4F
Structure of a parallel-stranded guanine tetraplex crystallised with monovalent ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-16 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8726 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 28.920, 57.370, 35.920 |
Unit cell angles | 90.00, 108.00, 90.00 |
Refinement procedure
Resolution | 14.680 - 1.500 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 352d |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 17547 | |
<I/σ(I)> | 7.05 | 2.71 |
Completeness [%] | 96.4 | 93.4 |
Redundancy | 1.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 1.8 M lithium sulphate, 0.01 M magnesium sulphate, 0.05 M 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 | lithium sulphate | ||
2 | 1 | 1 | magnesium sulphate | ||
3 | 1 | 1 | sodium cacodylate | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | lithium sulphate | ||
6 | 1 | 2 | magnesium sulphate | ||
7 | 1 | 2 | sodium cacodylate | ||
8 | 1 | 2 | H2O |