5X21
Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 186.790, 103.090, 296.230 |
| Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
| Resolution | 39.668 - 3.323 |
| R-factor | 0.233 |
| Rwork | 0.232 |
| R-free | 0.28020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.542 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 8.930 | 3.300 |
| Rmerge | 0.138 | 0.090 | 0.633 |
| Number of reflections | 76928 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 92.0 | 97.5 | 87.4 |
| Redundancy | 3.4 | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 100 mM Tris-HCl, pH 8.4, 200 mM potassium chloride, 50 mM magnesium chloride, 9.5% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
