2AHN
High resolution structure of a cherry allergen Pru av 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8126 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.288, 41.150, 58.946 |
| Unit cell angles | 90.00, 107.08, 90.00 |
Refinement procedure
| Resolution | 16.690 - 1.300 |
| R-factor | 0.117 |
| Rwork | 0.117 |
| R-free | 0.14600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1thv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.690 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.051 | 0.165 |
| Number of reflections | 49825 | |
| <I/σ(I)> | 28.6 | 9.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 3.5 | 298 | PEG 3350, citric acid, pH 3.5, Microbatch, temperature 298K |
