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 |