4KN4
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 184.675, 203.975, 307.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.769 - 3.965 |
| R-factor | 0.2537 |
| Rwork | 0.251 |
| R-free | 0.31490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4IGC |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.579 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 3.965 | 3.965 |
| Number of reflections | 95501 | |
| <I/σ(I)> | 6.2 | 1.6 |
| Completeness [%] | 94.5 | 76.7 |
| Redundancy | 4.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | 0.1 M HEPES-HCl, pH 7.0, 0.2 M calcium acetate, ~15% PEG400, 10 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
