2DQO
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 | 2002-10-26 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 |
Unit cell lengths | 51.400, 51.400, 44.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.300 |
Rwork | 0.216 |
R-free | 0.27570 |
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] | 31.365 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.059 | 0.219 |
Number of reflections | 3021 | |
<I/σ(I)> | 8.3 | 3.3 |
Completeness [%] | 99.8 | 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, 50mM sodium chloride, 50mM barium chloride and 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 | ||
10 | 1 | 2 | MPD | ||
11 | 1 | 2 | HOH | ||
2 | 1 | 1 | spermine tetrahydrochloride | ||
3 | 1 | 1 | sodium chloride | ||
4 | 1 | 1 | barium chloride | ||
5 | 1 | 1 | MPD | ||
6 | 1 | 1 | HOH | ||
7 | 1 | 2 | sodium cacodylate | ||
8 | 1 | 2 | sodium chloride | ||
9 | 1 | 2 | barium chloride |