1XPU
Structural mechanism of inhibition of the Rho transcription termination factor by the antibiotic 5a-(3-formylphenylsulfanyl)-dihydrobicyclomycin (FPDB)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.1000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.477, 206.935, 148.607 |
| Unit cell angles | 90.00, 96.95, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.050 |
| R-factor | 0.28784 |
| Rwork | 0.276 |
| R-free | 0.29493 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.974 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 63215 | |
| Completeness [%] | 81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | PEG 8000, Na Cacodylate, NaCl, Glycerol, FOS-Choline-12, pH 6.5, VAPOR DIFFUSION, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | glycerol | ||
| 4 | 1 | 1 | FOS-Choline-12 | ||
| 5 | 1 | 1 | sodium Cacodylate | ||
| 6 | 1 | 2 | PEG 8000 | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | glycerol |
