3U02
Crystal Structure of the tRNA modifier TiaS from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR225
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.147, 135.805, 77.269 |
| Unit cell angles | 90.00, 93.76, 90.00 |
Refinement procedure
| Resolution | 43.898 - 2.399 |
| R-factor | 0.1824 |
| Rwork | 0.179 |
| R-free | 0.24170 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.094 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.399 | 2.400 |
| Rmerge | 0.095 | 0.496 |
| Number of reflections | 96855 | |
| <I/σ(I)> | 19.4 | 3.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: Ammonium Sulfate 0.8M, Citric Acid 0.1M, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
