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 |