1UE2
Crystal structure of d(GC38GAAAGCT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-12-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 36.736, 36.736, 64.754 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.400 |
Rwork | 0.209 |
R-free | 0.23600 * |
Structure solution method | HEAVY-ATOM METHOD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.000 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.061 | 0.265 |
Total number of observations | 546817 * | |
Number of reflections | 5553 | |
<I/σ(I)> | 6.8 | 2.6 |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2,6-diaminopyridine, magnesium chloride, sodium chloride, hexaamminecobalt(III) chloride, 2-methyl-2,4-pentanediol, MEGA-10, sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | 2,6-diaminopyridine | ||
10 | 1 | 2 | sodium chloride | ||
11 | 1 | 2 | hexaamminecobalt(III) chloride | ||
2 | 1 | 1 | magnesium chloride | ||
3 | 1 | 1 | sodium chloride | ||
4 | 1 | 1 | hexaamminecobalt(III) chloride | ||
5 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
6 | 1 | 1 | MEGA-10 | ||
7 | 1 | 1 | sodium cacodylate | ||
8 | 1 | 2 | 2,6-diaminopyridine | ||
9 | 1 | 2 | magnesium chloride |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 2 (mM) | |
2 | 1 | drop | 2,6-diaminopyridine | 9 (mM) | |
3 | 1 | reservoir | 20 (mM) | ||
4 | 1 | reservoir | 80 (mM) | ||
5 | 1 | reservoir | 30 (mM) | ||
6 | 1 | reservoir | MPD | 20 (%) | |
7 | 1 | reservoir | n-decanoyl-N-methylglucamide | 0.17 (%) | |
8 | 1 | reservoir | sodium cacodylate | 40 (mM) | pH6.0 |