4A85
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with kinetin.
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, 55.890, 38.040 |
| Unit cell angles | 90.00, 93.24, 90.00 |
Refinement procedure
| Resolution | 37.980 - 1.400 |
| R-factor | 0.12165 |
| Rwork | 0.119 |
| R-free | 0.17973 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.006 |
| 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] | 32.640 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.220 |
| Number of reflections | 22328 | |
| <I/σ(I)> | 11.8 | 3.9 |
| Completeness [%] | 82.8 | 85.8 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
