4IFZ
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, Mn(II)-AMP product bound 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 | 2012-03-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.49993 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.632, 46.907, 57.625 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 29.529 - 1.901 |
| R-factor | 0.1608 |
| Rwork | 0.159 |
| R-free | 0.20340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ifu |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.268 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.046 | 0.038 | 0.232 |
| Number of reflections | 24023 | ||
| <I/σ(I)> | 15.4 | ||
| Completeness [%] | 99.4 | 99.5 | 98.6 |
| Redundancy | 6 | 5.9 | 5.9 |
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 |
