3R6R
Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 6 |
| Unit cell lengths | 65.620, 65.620, 41.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.25190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | code 3CDM |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.451 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.828 | 41.810 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.031 | 0.681 | |
| Total number of observations | 3337 | 15014 | |
| Number of reflections | 4674 | ||
| <I/σ(I)> | 24.9 | 18 | 1.1 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 22.2 | 20.2 | 22.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 296 | Ammonium sulphate, Lithium sulphate, potassium chloride, pH 6.5, vapor diffusion, temperature 296K |
