3G4S
Co-crystal structure of Tiamulin bound to the large ribosomal subunit
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 212.270, 299.840, 574.137 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.840 - 3.200 |
| Rwork | 0.215 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cc2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 6.890 | 3.200 |
| Rmerge | 0.178 | 0.046 | |
| Number of reflections | 280654 | ||
| <I/σ(I)> | 9.09 | ||
| Completeness [%] | 93.3 | 97.5 | 57.4 |
| Redundancy | 7.1 | 7.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 292 | PEG 6000, KCl, NH4Cl, MgCl2, pH 5.80, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 292 | PEG 6000, KCl, NH4Cl, MgCl2, pH 5.80, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 6000 | ||
| 2 | 1 | 1 | KCl | ||
| 3 | 1 | 1 | NH4Cl | ||
| 4 | 1 | 1 | MgCl2 | ||
| 5 | 1 | 2 | PEG 6000 | ||
| 6 | 1 | 2 | KCl | ||
| 7 | 1 | 2 | NH4Cl | ||
| 8 | 1 | 2 | MgCl2 |
