1UB8
Crystal structure of d(GCGAAGC), bending duplex with a bulge-in residue
Experimental procedure
| Experimental method | MAD |
| 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 | 2000-12-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.675, 48.856, 63.761 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.600 |
| Rwork | 0.194 |
| R-free | 0.23200 * |
| Structure solution method | MAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.067 | 0.299 |
| Total number of observations | 328413 * | |
| Number of reflections | 20709 | |
| <I/σ(I)> | 6.4 | 2.2 |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | sodium cacodylate, sodium chloride, potassium chloride, hexaamminecobalt(III) chloride, MEGA-10, 2-methyl-2,4-pentanediol, pH 6, 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 | sodium chloride | ||
| 3 | 1 | 1 | potassium chloride | ||
| 4 | 1 | 1 | hexaamminecobalt(III) chloride | ||
| 5 | 1 | 1 | MEGA-10 | ||
| 6 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | sodium chloride | ||
| 9 | 1 | 2 | potassium chloride |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.5 (mM) | |
| 2 | 1 | reservoir | 20 (mM) | pH6.0 | |
| 3 | 1 | reservoir | 140 (mM) | ||
| 4 | 1 | reservoir | 20 (mM) | ||
| 5 | 1 | reservoir | MPD | 18 (%) | |
| 6 | 1 | reservoir | n-decanoyl-N-methylglucamide | 0.17 (%) | |
| 7 | 1 | reservoir | 40 (mM) |
