5YNY
Structure of house dust mite allergen Der F 21 in PEG2KMME
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-21 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.237, 50.934, 69.642 |
| Unit cell angles | 90.00, 97.33, 90.00 |
Refinement procedure
| Resolution | 28.740 - 2.300 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.27260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.591 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.740 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.039 | 0.407 |
| Rpim | 0.023 | 0.244 |
| Number of reflections | 19287 | 6969 |
| <I/σ(I)> | 16.2 | 3.3 |
| Completeness [%] | 97.8 | 98.1 |
| Redundancy | 3.7 | 3.3 |
| CC(1/2) | 0.999 | 0.903 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris (pH 8.0) and 30% PEG MME 2000 |
