4A83
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with deoxycholate.
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 | 32.600, 56.120, 38.070 |
| Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.540 |
| R-factor | 0.12509 |
| Rwork | 0.123 |
| R-free | 0.16819 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.485 |
| 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] | 38.000 | 1.620 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.040 | 0.090 |
| Number of reflections | 20001 | |
| <I/σ(I)> | 19.3 | 9.7 |
| Completeness [%] | 98.3 | 88.8 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
