4A8G
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with dimethylbenzylammonium propane sulfonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-28 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.720, 55.690, 38.030 |
| Unit cell angles | 90.00, 93.12, 90.00 |
Refinement procedure
| Resolution | 37.970 - 2.100 |
| R-factor | 0.1667 |
| Rwork | 0.163 |
| R-free | 0.24906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.681 |
| 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] | 37.970 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.140 |
| Number of reflections | 7052 | |
| <I/σ(I)> | 15.6 | 8 |
| Completeness [%] | 87.9 | 93.7 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
