4P1D
Structure of the complex of a bimolecular human telomeric DNA with Coptisine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0020 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 41.567, 41.567, 66.157 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.550 |
| R-factor | 0.2331 |
| Rwork | 0.232 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k8p |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.472 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (2.1.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.200 | 1.640 | |
| High resolution limit [Å] | 1.550 | 4.610 | 1.550 |
| Rmerge | 0.113 | 0.073 | 0.740 |
| Rmeas | 0.117 | 0.076 | 0.767 |
| Total number of observations | 166071 | ||
| Number of reflections | 8899 | 395 | 1368 |
| <I/σ(I)> | 15.22 | 39.45 | 2.08 |
| Completeness [%] | 99.6 | 99.7 | 97.9 |
| Redundancy | 18.7 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | Sodium Fluoride, Potassium Fluoride, Cacodylate, MPD |
