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 |