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 |