4RC0
X-ray structure of RNA containing guanosine phosphorodithioate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 40.914, 34.836, 32.274 |
| Unit cell angles | 90.00, 127.50, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.130 |
| Rwork | 0.181 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q1r |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.035 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP ((CCP4)) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.049 | 0.212 |
| Number of reflections | 12968 | |
| <I/σ(I)> | 49.21 | 4.83 |
| Completeness [%] | 95.5 | 90.7 |
| Redundancy | 6.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 20 mM sodium cacodylate, 40 mM sodium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
