1UE3
Crystal structure of d(GCGAAAGC) containing hexaamminecobalt
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 | 2002-03-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9780 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 37.373, 37.373, 64.587 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 2.150 |
Rwork | 0.227 |
R-free | 0.23900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ue2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.044 | 0.393 |
Total number of observations | 102876 * | |
Number of reflections | 1817 | |
<I/σ(I)> | 6.2 | 1.9 |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | magnesium chloride, spermine 4HCl, hexaamminecobalt(III) chloride, 2-methyl-2,4-pentanediol, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | magnesium chloride | ||
2 | 1 | 1 | spermine 4HCl | ||
3 | 1 | 1 | hexaamminecobalt(III) chloride | ||
4 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
5 | 1 | 1 | sodium cacodylate | ||
6 | 1 | 2 | magnesium chloride | ||
7 | 1 | 2 | spermine 4HCl | ||
8 | 1 | 2 | hexaamminecobalt(III) chloride |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | DNA | 1.5 (mM) | |
2 | 1 | drop | 18 (mM) | ||
3 | 1 | drop | spermine 4HCl | 2.25 (mM) | |
4 | 1 | drop | 0.9 (mM) | ||
5 | 1 | drop | MPD | 4.5 (%) | |
6 | 1 | reservoir | MPD | 25 (%) | |
7 | 1 | drop | sodium cacodylate | 50 (mM) | pH7.0 |