4OIQ
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin
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 | 2011-11-07 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9180 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 184.840, 104.183, 295.319 |
Unit cell angles | 90.00, 98.52, 90.00 |
Refinement procedure
Resolution | 48.676 - 3.624 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g7h |
RMSD bond length | 0.008 |
RMSD bond angle | 1.133 |
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 | 3.660 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.149 | 0.754 |
Number of reflections | 58047 | |
<I/σ(I)> | 7.7 | 1.4 |
Completeness [%] | 92.2 | 90 |
Redundancy | 3.4 | 3 |
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 |