5E18
T. thermophilus transcription initiation complex having a YYY discriminator sequence and a nontemplate-strand length corresponding to TSS selection at position 8 (RPo-CCC-8)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 185.917, 103.241, 298.404 |
| Unit cell angles | 90.00, 97.93, 90.00 |
Refinement procedure
| Resolution | 38.345 - 3.300 |
| R-factor | 0.2402 |
| Rwork | 0.238 |
| R-free | 0.28390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g7h |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.771 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 (HKL3000) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9) |
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 | 0.086 | 0.038 | 0.659 |
| Rmeas | 0.098 | 0.043 | 0.765 |
| Rpim | 0.047 | 0.021 | 0.380 |
| Total number of observations | 307176 | ||
| Number of reflections | 77809 | ||
| <I/σ(I)> | 8.4 | 1.56 | |
| Completeness [%] | 91.2 | 99.3 | 76 |
| Redundancy | 3.9 | 3.9 | 3.5 |
| CC(1/2) | 0.996 | 0.816 |
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 |
