4NLF
2'-trifluoromethylthio-2'-deoxycytidine-modified SRL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-28 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.708 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.170, 39.570, 29.920 |
| Unit cell angles | 90.00, 90.92, 90.00 |
Refinement procedure
| Resolution | 29.166 - 1.000 |
| R-factor | 0.0991 |
| Rwork | 0.099 |
| R-free | 0.11630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dvz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.030 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.031 | 0.093 |
| Number of reflections | 69037 | |
| <I/σ(I)> | 38.78 | 15.8 |
| Completeness [%] | 95.4 | 91.2 |
| Redundancy | 5.7 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1:1 RNA (in 1.0 mM sodium EDTA, pH 8.0, 10 mM Tris, pH 8.0) to well solution (3.1 M ammonium sulfate, 50 mM potassium MOPS, 10 mM magnesium chloride, 10 mM manganese chloride), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
