4IFU
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, apo 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 | 2011-08-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.587, 47.282, 57.593 |
| Unit cell angles | 90.00, 102.04, 90.00 |
Refinement procedure
| Resolution | 28.750 - 1.833 |
| R-factor | 0.1717 |
| Rwork | 0.169 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vrm |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.277 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
| Rmerge | 0.076 | 0.034 | 0.574 |
| Number of reflections | 27231 | ||
| <I/σ(I)> | 10.2 | ||
| Completeness [%] | 99.7 | 98.5 | 99.9 |
| Redundancy | 4 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate, 0.8 M sodium acetate, 0.1 M NaCl, 20% (w/v) ethylene glycol;, pH 6.5, hanging-drop vapor diffusion, temperature 293K |
