5HN2
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 |
| Unit cell lengths | 42.336, 42.336, 58.646 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.900 - 1.500 |
| R-factor | 0.1235 |
| Rwork | 0.123 |
| R-free | 0.14043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 197d |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.518 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.044 | |
| Number of reflections | 18455 | |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 98.0 | 96.7 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% MPD, 50 mM Tris-HCl (pH 7.5), 50 mM NH4Ac, 10 mM MgCl2 |
