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 |