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 |
