6H5R
Structure of the complex of a human telomeric DNA with bis(1-butyl-3-methyl-imidazole-2-ylidene) gold(I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.872900 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 36.600, 71.370, 27.050 |
| Unit cell angles | 90.00, 92.42, 90.00 |
Refinement procedure
| Resolution | 35.690 - 2.000 |
| R-factor | 0.2309 |
| Rwork | 0.228 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r6r |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.690 | 2.000 |
| High resolution limit [Å] | 2.000 | 1.690 |
| Rmerge | 2.650 | |
| Rmeas | 0.120 | 3.000 |
| Number of reflections | 8883 | 1307 |
| <I/σ(I)> | 6.04 | |
| Completeness [%] | 97.6 | 90.4 |
| Redundancy | 5.4 | 4.5 |
| CC(1/2) | 0.990 | 0.220 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 296 | isopropanol, KCacodylate, Li2SO4, MgSO4 |
