5D4C
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-12 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 185.960, 103.640, 297.420 |
Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
Resolution | 49.196 - 3.280 |
R-factor | 0.2138 |
Rwork | 0.211 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h7h |
RMSD bond length | 0.004 |
RMSD bond angle | 0.810 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.360 |
High resolution limit [Å] | 3.300 | 8.940 | 3.300 |
Rmerge | 0.185 | 0.071 | 0.954 |
Rmeas | 0.197 | 0.079 | |
Rpim | 0.084 | 0.034 | 0.441 |
Total number of observations | 892176 | ||
Number of reflections | 164255 | ||
<I/σ(I)> | 5.6 | 1.667 | |
Completeness [%] | 96.1 | 99.9 | 87.5 |
Redundancy | 5.4 | 5.5 | 5 |
CC(1/2) | 0.994 | 0.776 |
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 |