4RBZ
X-ray structure of RNA containing adenosine 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 | 41.177, 35.052, 31.858 |
| Unit cell angles | 90.00, 128.66, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.180 |
| Rwork | 0.154 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q1r |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.028 |
| 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 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.074 | 0.180 |
| Number of reflections | 11706 | |
| <I/σ(I)> | 45.69 | 7.81 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20 mM sodium cacodylate, 40 mM potassium chloride, 6 mM spermine tetrahydrochloride, 5% v/v MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
