2DQQ
Crystal Structure of d(CXCTXCTTC):r(gaagaagag) Where X is 5-(N-aminohexyl)carbamoyl-2'-O-methyluridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 52.471, 52.471, 42.488 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| Rwork | 0.246 |
| R-free | 0.28440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 479d |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.488 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.036 | 0.296 |
| Number of reflections | 4587 | |
| <I/σ(I)> | 12.5 | 2.5 |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 25mM sodium cacodylate, pH 7.0, 5mM spermine tetrahydrochloride, 25mM lithium chloride and 7.5% MPD, equilibrated against 35% (v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | sodium cacodylate | ||
| 2 | 1 | 1 | spermine tetrahydrochloride | ||
| 3 | 1 | 1 | lithium chloride | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 1 | HOH | ||
| 6 | 1 | 2 | sodium cacodylate | ||
| 7 | 1 | 2 | lithium chloride | ||
| 8 | 1 | 2 | MPD | ||
| 9 | 1 | 2 | HOH |
