4URR
Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment
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 | CCD |
| Collection date | 2012-09-27 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.987, 138.895, 136.073 |
| Unit cell angles | 90.00, 92.05, 90.00 |
Refinement procedure
| Resolution | 45.330 - 1.950 |
| R-factor | 0.1977 |
| Rwork | 0.196 |
| R-free | 0.23580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vbk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 2.050 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.240 | 0.840 |
| Number of reflections | 224609 | |
| <I/σ(I)> | 6.2 | 2.1 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PROTEIN WAS CRYSTALLISED FROM 0.1 M MES, PH 6.5, 16 % PEG 8000, 20 MM MNCL2 |
