4IFW
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, ADP inhibited form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.829, 47.252, 57.643 |
| Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
| Resolution | 29.654 - 2.300 |
| R-factor | 0.1798 |
| Rwork | 0.177 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ifu |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.795 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.134 | 0.046 | 0.388 |
| Number of reflections | 13766 | ||
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 99.0 | 99.7 | 94.9 |
| Redundancy | 3.9 | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging-drop vapor diffusion | 6.5 | 293 | 0.1 M MES, 0.8 M sodium acetate, 0.1 M NaCl, 20% (w/v) ethylene glycol;, pH 6.5, hanging-drop vapor diffusion, temperature 293K |
