1UJW
Structure of the complex between BtuB and Colicin E3 Receptor binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | SBC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.933, 80.098, 233.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.500 * - 2.750 |
| R-factor | 0.247 |
| Rwork | 0.244 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nqe |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.868 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.500 * | |
| High resolution limit [Å] | 2.750 | 2.750 * |
| Rmerge | 0.084 * | 0.295 * |
| Total number of observations | 139699 * | |
| Number of reflections | 37175 | |
| Completeness [%] | 96.7 * | 91.1 * |
| Redundancy | 3.8 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 * | 20 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MES | 10 (mM) | pH6.5 |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | LDAO | 0.1 (%(w/v)) | |
| 4 | 1 | reservoir | ADA | 0.1 (M) | pH6.0 |
| 5 | 1 | reservoir | ammonium sulfate | 0.9 (M) |
