4A86
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in ternary complex with kinetin and 8-Anilinonaphthalene-1-sulfonate (ANS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.630, 55.560, 38.000 |
| Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
| Resolution | 37.930 - 1.590 |
| R-factor | 0.1394 |
| Rwork | 0.136 |
| R-free | 0.20672 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.461 |
| 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] | 37.930 | 1.670 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.050 | 0.460 |
| Number of reflections | 17743 | |
| <I/σ(I)> | 15.9 | 2.8 |
| Completeness [%] | 96.2 | 93.6 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
