5I4S
Non-natural DNA pair Z (6-amino-5-nitro-2[1H] pyridone heterocycle)-Guanosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | H 3 |
| Unit cell lengths | 41.487, 41.487, 101.738 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.910 - 2.460 |
| R-factor | 0.21009 |
| Rwork | 0.206 |
| R-free | 0.26782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 476d |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.547 |
| Data reduction software | iMOSFLM (7.2.1) |
| Data scaling software | Aimless (5.17) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 33.910 |
| High resolution limit [Å] | 2.460 |
| Rmerge | 0.153 |
| Number of reflections | 2362 |
| <I/σ(I)> | 5.7 |
| Completeness [%] | 98.7 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291.5 | 32% MPD, 0.1 M Calcium acetate |
