1Z5T
Crystal Structure of [d(CGCGAA(Z3dU)(Z3dU)CGCG)]2, Z3dU:5-(3-aminopropyl)-2'-deoxyuridine, in presence of thallium I.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 113.2 |
| Detector technology | CCD |
| Collection date | 2003-12-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00930 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.994, 41.057, 66.339 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.910 - 1.600 |
| R-factor | 0.233 |
| Rwork | 0.198 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB entery BDL084 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.381 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.044 | 0.555 |
| Number of reflections | 8901 | |
| Completeness [%] | 77.3 | 49.1 |
| Redundancy | 3.3 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295.2 | MPD, cacodylate (pH adjusted using spermine base), spermine acetate, ANAPOE-C12E10 (detergent), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.2K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | cacodylate | ||
| 3 | 1 | 1 | spermine acetate | ||
| 4 | 1 | 1 | ANAPOE-C12E10 (detergent) | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | ANAPOE-C12E10 (detergent) | ||
| 8 | 1 | 2 | H2O |
