6UUA
E. coli sigma-S transcription initiation complex with a mismatching CTP ("Fresh" crystal soaked with CTP for 2 hours)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 132.964, 153.829, 231.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.891 - 4.002 |
| Rwork | 0.302 |
| R-free | 0.36460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ipl |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 4.240 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Number of reflections | 37926 | 5881 |
| <I/σ(I)> | 9.22 | 0.43 |
| Completeness [%] | 93.1 | 91.3 |
| Redundancy | 5.3 | 4.9 |
| CC(1/2) | 0.999 | 0.109 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG3350, sodium chloride, HEPES |
