4A87
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with naringenin.
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 | 2010-08-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.650, 55.420, 37.890 |
| Unit cell angles | 90.00, 93.28, 90.00 |
Refinement procedure
| Resolution | 37.830 - 1.240 |
| R-factor | 0.12826 |
| Rwork | 0.126 |
| R-free | 0.16238 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.698 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.240 | 1.310 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.060 | 0.170 |
| Number of reflections | 37419 | |
| <I/σ(I)> | 12.7 | 5.2 |
| Completeness [%] | 97.9 | 88.4 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
