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 |