4A80
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with 8-Anilinonaphthalene-1-sulfonate (ANS)
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 | 32.690, 55.580, 37.960 |
| Unit cell angles | 90.00, 93.76, 90.00 |
Refinement procedure
| Resolution | 37.880 - 1.960 |
| R-factor | 0.14731 |
| Rwork | 0.144 |
| R-free | 0.20521 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fm4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.102 |
| 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] | 37.880 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.040 | 0.060 |
| Number of reflections | 8488 | |
| <I/σ(I)> | 11.13 | 21.8 |
| Completeness [%] | 90.5 | 98.8 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
