2GSK
Structure of the BtuB:TonB Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.340, 82.439, 122.632 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nqh |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.223 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.180 |
| High resolution limit [Å] | 2.098 | 2.100 |
| Rmerge | 0.078 | 0.436 |
| Number of reflections | 44005 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 98.2 | 90.5 |
| Redundancy | 4.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.1 | 288 | 30% (v/v) PEG 300, 0.1M sodium acetate , pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 288K, pH 5.10 |
