5CDB
Structure of the complex of a bimolecular human telomeric DNA with a 13-diphenylalkyl Berberine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 41.132, 41.132, 71.204 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.620 - 1.700 |
| R-factor | 0.2335 |
| Rwork | 0.231 |
| R-free | 0.28410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p1d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.813 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.620 | 1.800 | |
| High resolution limit [Å] | 1.700 | 5.040 | 1.700 |
| Rmerge | 0.062 | 0.038 | 2.012 |
| Rmeas | 0.064 | 0.039 | 2.103 |
| Total number of observations | 183179 | ||
| Number of reflections | 7183 | 335 | 1061 |
| <I/σ(I)> | 20.83 | 84.07 | 0.84 |
| Completeness [%] | 98.9 | 100 | 93.2 |
| Redundancy | 25.5 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | ammonium sulphate, lithium sulphate, sodium cacodylate |
