4US7
Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-24 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.830, 96.550, 109.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.275 - 1.960 |
| R-factor | 0.1835 |
| Rwork | 0.179 |
| R-free | 0.22010 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.021 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.040 | 0.080 |
| Number of reflections | 34976 | |
| <I/σ(I)> | 51.72 | 21.15 |
| Completeness [%] | 97.1 | 94.9 |
| Redundancy | 17.5 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 28% PEG 8K 100 MM TAPS PH 8.0 150 MM AMS |
