2DP7
Crystal Structure of D(CGCGAATXCGCG) Where X is 5-(N-aminohexyl)carbamoyl-2'-deoxyuridine
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 | 2002-01-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 25.403, 39.317, 65.804 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| Rwork | 0.179 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 355d |
| 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] | 18.836 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.047 | 0.257 |
| Number of reflections | 10074 | |
| <I/σ(I)> | 8.4 | 2.8 |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20mM sodium cacodylate (pH 6.0), 40mM potassium chloride, 2.5mM magnesium chloride, 1.5mM spermine tetrahydrochloride and 5%(v/v) 2-methyl-2,4-pentanediol (MPD), equilibrated against 45%(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 | 2-methyl-2,4-pentanediol | ||
| 11 | 1 | 2 | HOH | ||
| 2 | 1 | 1 | potassium chloride | ||
| 3 | 1 | 1 | magnesium chloride | ||
| 4 | 1 | 1 | spermine tetrahydrochloride | ||
| 5 | 1 | 1 | 2-methyl-2,4-pentanediol | ||
| 6 | 1 | 1 | HOH | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | potassium chloride | ||
| 9 | 1 | 2 | magnesium chloride |
