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 |