4A84
Crystal Structure of Major Birch Pollen Allergen Bet v 1 a F30V mutant in complex with deoxycholate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.560, 55.980, 37.970 |
| Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
| Resolution | 37.890 - 1.500 |
| R-factor | 0.16907 |
| Rwork | 0.165 |
| R-free | 0.24315 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a80 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.846 |
| 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] | 32.490 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.110 | 0.740 |
| Number of reflections | 21271 | |
| <I/σ(I)> | 4.9 | 2.1 |
| Completeness [%] | 97.3 | 96 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | pH 7 |
