4OIO
Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.110, 103.780, 296.090 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 48.919 - 3.100 |
| R-factor | 0.2061 |
| Rwork | 0.205 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g7h |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.827 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.146 | 1.000 |
| Number of reflections | 100364 | |
| <I/σ(I)> | 11.3 | 1.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 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 |
