4ZH3
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.910 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 186.339, 205.790, 307.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.751 - 4.082 |
| R-factor | 0.2381 |
| Rwork | 0.237 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lk1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.978 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.170 |
| High resolution limit [Å] | 4.100 | 11.090 | 4.100 |
| Rmerge | 0.234 | 0.209 | 0.761 |
| Rmeas | 0.244 | 0.218 | 0.792 |
| Rpim | 0.068 | 0.062 | 0.217 |
| Total number of observations | 1244252 | ||
| Number of reflections | 94040 | ||
| <I/σ(I)> | 7 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 13.2 | 12.4 | 13.2 |
| CC(1/2) | 0.939 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M HEPES, 0.2 M calcium chloride, 18% PEG400 |
