1GQU
Crystal structure of an alternating A-T oligonucleotide fragment with Hoogsteen base pairing
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2001-03-15 |
Detector | MARCCD |
Wavelength(s) | 0.919,0.855 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 23.960, 48.950, 32.240 |
Unit cell angles | 90.00, 93.27, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.23400 * |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.170 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.060 | 0.175 * |
Number of reflections | 2591 | |
Completeness [%] | 90.3 | 68.6 |
Redundancy | 10.4 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 13 * | pH 6.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA duplex | 0.7 (mM) | |
2 | 1 | drop | spermine | 3 (mM) | |
3 | 1 | drop | 9 (mM) | ||
4 | 1 | drop | sodium cacodylate | 25 (mM) | pH6. |
5 | 1 | drop | MPD | 37 (%(v/v)) | |
6 | 1 | reservoir | MPD | 38 (%(v/v)) |