4D40
High-Resolution Structure of a Type IV Pilin from Shewanella oneidensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.910, 96.460, 110.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.713 - 1.669 |
| R-factor | 0.1817 |
| Rwork | 0.180 |
| R-free | 0.20750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4us7 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.012 |
| 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] | 48.300 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.040 | 0.640 |
| Number of reflections | 56946 | |
| <I/σ(I)> | 13.27 | 1.24 |
| Completeness [%] | 97.0 | 95.1 |
| Redundancy | 1.96 | 1.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 26% PEG 8,000 0.1 M CHES PH 8.6 0.15 M (NH4)2SO4 |
