5LJ4
Crystal structure of DNA duplex containing ZP base pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 63 |
Detector technology | PIXEL |
Collection date | 2013-05-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.987 |
Spacegroup name | H 3 |
Unit cell lengths | 41.700, 41.700, 99.932 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.960 - 2.170 |
R-factor | 0.2223 |
Rwork | 0.220 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 463d |
RMSD bond length | 0.008 |
RMSD bond angle | 1.704 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.960 | 2.240 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmerge | 0.066 | 0.495 |
Number of reflections | 3244 | |
<I/σ(I)> | 15.1 | 3.6 |
Completeness [%] | 99.2 | 97.4 |
Redundancy | 9.6 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20 mM Sodium Cacodylate, pH 7.0 600 mM Calcium chloride 50% hexylene glycol |