3ZS3
High resolution structure of Mal d 2, the thaumatin like food allergen from apple
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 | IMAGE PLATE |
| Collection date | 2006-03-15 |
| Detector | MAR555 FLAT PANEL |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.662, 54.060, 45.239 |
| Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
| Resolution | 41.390 - 1.800 |
| R-factor | 0.15081 |
| Rwork | 0.149 |
| R-free | 0.18757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ahn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.385 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.060 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.170 |
| Number of reflections | 16738 | |
| <I/σ(I)> | 15.4 | 7.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 60% TACSIMATE |
