6VVS
Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with antibiotic Sorangicin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-04-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 132.461, 162.908, 139.325 |
| Unit cell angles | 90.00, 107.32, 90.00 |
Refinement procedure
| Resolution | 54.665 - 3.112 |
| R-factor | 0.2168 |
| Rwork | 0.216 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5tw1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.571 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (v0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.000 | 55.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.680 | 3.100 |
| Rmerge | 0.162 | 0.053 | 2.045 |
| Rmeas | 0.170 | 0.055 | 2.191 |
| Rpim | 0.051 | 0.017 | 0.762 |
| Total number of observations | 1026574 | ||
| Number of reflections | 98175 | 10208 | 8435 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 97.7 | 100 | 83.8 |
| Redundancy | 10.5 | 10.7 | 7.1 |
| CC(1/2) | 0.999 | 0.529 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.1 M Bis-Tris, pH 6.0, 0.2 M lithium sulfate, 20% w/v PEG3350, 2.5% v/v ethylene glycol, 1% v/v DMSO |
