5E17
T. thermophilus transcription initiation complex having a RRR discriminator sequence and a nontemplate-strand length corresponding to TSS selection at position 7 (RPo-GGG-7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.918 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.007, 103.566, 294.935 |
Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
Resolution | 39.817 - 3.200 |
R-factor | 0.2171 |
Rwork | 0.215 |
R-free | 0.25970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g7h |
RMSD bond length | 0.005 |
RMSD bond angle | 0.825 |
Data reduction software | HKL-2000 (HKL2000) |
Data scaling software | SCALEPACK (HKL2000) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 3.260 |
High resolution limit [Å] | 3.200 | 8.660 | 3.200 |
Rmerge | 0.185 | 0.067 | 0.863 |
Total number of observations | 297050 | ||
Number of reflections | 85564 | ||
<I/σ(I)> | 4.3 | ||
Completeness [%] | 93.7 | 100 | 91.1 |
Redundancy | 3.5 | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100 mM Tris-HCl, pH 8.4, 200 mM potassium chloride, 50 mM magnesium chloride, 9.5% PEG4000, |