1IHR
Crystal structure of the dimeric C-terminal domain of TonB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800, 0.9163, 0.9196, 0.9199 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 63.770, 86.330, 26.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| R-factor | 0.16 * |
| Rwork | 0.160 |
| R-free | 0.23000 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.600 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.027 | 0.110 |
| Total number of observations | 138987 * | |
| Number of reflections | 21518 | |
| <I/σ(I)> | 40.5 | 6.8 |
| Completeness [%] | 96.8 | 80.2 |
| Redundancy | 6.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 22 * | PEG 3350, Tris, CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 20 (mM) | |
| 2 | 1 | drop | protein | 15 (mg/ml) | |
| 3 | 1 | reservoir | PEG3350 | 28-30 (%) | |
| 4 | 1 | reservoir | Tris | 0.1 (M) | |
| 5 | 1 | reservoir | 50-100 (mM) |
