6UUC
E. coli sigma-S transcription initiation complex with a 3-nt RNA and a mismatching ATP ("Fresh" crystal soaked with ATP 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 | 133.096, 154.918, 231.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.300 - 4.096 |
| Rwork | 0.322 |
| R-free | 0.37990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ipl |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.161 |
| 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] | 49.321 | 4.340 |
| High resolution limit [Å] | 4.096 | 4.096 |
| Number of reflections | 38147 | 5914 |
| <I/σ(I)> | 10.14 | |
| Completeness [%] | 99.3 | 97 |
| Redundancy | 5 | 5.06 |
| CC(1/2) | 0.999 | 0.108 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG3350, sodium chloride, HEPES |
