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)) |
