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 |