4Y2N
Structure of CFA/I pili major subunit CfaB trimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 114.723, 114.723, 67.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.696 - 2.400 |
| R-factor | 0.2396 |
| Rwork | 0.237 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f48 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.555 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: dev_1323)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.696 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.073 | 0.425 |
| Number of reflections | 19692 | |
| <I/σ(I)> | 14.4 | 2.02 |
| Completeness [%] | 97.3 | 93.2 |
| Redundancy | 4.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M HEPES pH 7.0, 0.2 M MgCl2, 3% ethanol glycol, 16.8% PEG8000 |
