3G71
Co-crystal structure of Bruceantin 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 | 212.207, 299.544, 574.251 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.760 - 2.850 |
Rwork | 0.186 |
R-free | 0.23300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3cc2 |
RMSD bond length | 0.007 |
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 | 2.950 |
High resolution limit [Å] | 2.850 | 6.140 | 2.850 |
Rmerge | 0.109 | 0.036 | |
Number of reflections | 415775 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 98.6 | 96.6 | 98.6 |
Redundancy | 5.9 | 5.8 | 5.6 |
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 |