1XBP
Inhibition of peptide bond formation by pleuromutilins: The structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with Tiamulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2001-11-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 168.700, 405.000, 693.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.500 |
| R-factor | 0.29 |
| Rwork | 0.290 |
| R-free | 0.36000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nkw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.330 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.560 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Number of reflections | 258817 | |
| <I/σ(I)> | 6.3 | 1.8 |
| Completeness [%] | 88.3 | 78.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 280 | ETHANOL, DIMETHYLHEXANEDIOL, MGCL2,KCL, HEPES, NH4CL, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 280 | ETHANOL, DIMETHYLHEXANEDIOL, MGCL2,KCL, HEPES, NH4CL, pH 7.80, VAPOR DIFFUSION, HANGING DROP, temperature 280K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ethanol | ||
| 10 | 1 | 2 | NH4CL | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | DIMETHYLHEXANEDIOL | ||
| 3 | 1 | 1 | MGCL2 | ||
| 4 | 1 | 1 | KCL | ||
| 5 | 1 | 1 | HEPES | ||
| 6 | 1 | 1 | NH4CL | ||
| 7 | 1 | 1 | H2O | ||
| 8 | 1 | 2 | MGCL2 | ||
| 9 | 1 | 2 | KCL |
