5HIX
Cocrystal structure of an anti-parallel DNA G-quadruplex and a tetra-Quinoline Foldamer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9796 |
Spacegroup name | P 41 |
Unit cell lengths | 31.701, 31.701, 97.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.140 - 2.480 |
R-factor | 0.23052 |
Rwork | 0.227 |
R-free | 0.28784 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jrn |
RMSD bond length | 0.011 |
RMSD bond angle | 1.668 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.140 | 2.570 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.080 | 0.870 |
Number of reflections | 3345 | |
<I/σ(I)> | 12.06 | 1.95 |
Completeness [%] | 97.7 | 88.62 |
Redundancy | 5.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | d(GGGGTTTTGGGG), 8-amino-2-quinolinecarboxylic acid, potassium cacodylate, magnesium chloride, potassium chloride, spermine, 2-methyl-2,4-pentanediol (MPD) |