4IIL
Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin
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 | 2012-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.955, 107.790, 72.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.294 - 1.300 |
| R-factor | 0.1222 |
| Rwork | 0.121 |
| R-free | 0.15280 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.295 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
| Rmerge | 0.054 | 0.028 | 0.614 |
| Number of reflections | 73370 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 99.8 | 98.1 | 98.9 |
| Redundancy | 5.8 | 5.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M KSCN, 20% PEG3350, vapor diffusion, hanging drop, temperature 298K |
