5ODW
Structure of the FpvAI-pyocin S2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8729 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 115.524, 209.390, 215.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.970 - 2.800 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w16 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS (0.52) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.970 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.347 | 1.701 |
| Rpim | 0.236 | 1.059 |
| Number of reflections | 63709 | |
| <I/σ(I)> | 5.5 | 1.3 |
| Completeness [%] | 98.8 | 99.5 |
| Redundancy | 5.7 | 6 |
| CC(1/2) | 0.965 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 291 | 0.350 M ammonium sulphate, 13.5% (w/v) PEG3350, 0.050 M sodium acetate pH 4.0 |
