5NZB
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-08 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 31.763, 57.336, 59.041 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.668 - 1.695 |
| R-factor | 0.1962 |
| Rwork | 0.195 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cqa |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.989 |
| Data reduction software | XDS |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.130 | 1.800 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.079 | 0.640 |
| Rmeas | 0.082 | 0.660 |
| Number of reflections | 12513 | |
| <I/σ(I)> | 20.21 | 4.37 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 16.12 | 16.47 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Magnesium chloride hexahydrate, 0.1 M HEPES pH 7.5, 25% PEG3350 |
