5CCW
Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9798 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 47.129, 51.286, 58.768 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.890 |
| R-factor | 0.2271 |
| Rwork | 0.225 |
| R-free | 0.26010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r6r |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.133 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.640 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.117 | |
| Number of reflections | 5821 | |
| <I/σ(I)> | 15.36 | 1.6 |
| Completeness [%] | 97.8 | 87.7 |
| Redundancy | 12.8 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | PEG400, lithium sulphate, sodium cacodylate |
