4KN7
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2c
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 | 185.830, 204.579, 308.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.877 - 3.686 |
R-factor | 0.2548 |
Rwork | 0.252 |
R-free | 0.30910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4IGC |
RMSD bond length | 0.002 |
RMSD bond angle | 0.555 |
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] | 3.686 | 3.686 |
Number of reflections | 118179 | |
<I/σ(I)> | 7.6 | 1.4 |
Completeness [%] | 93.1 | 87.2 |
Redundancy | 4.2 | 2.6 |
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 |