4A8U
Crystal Structure of native Birch Pollen Allergen Bet v 1 isoform j
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 | 32.660, 55.690, 38.050 |
Unit cell angles | 90.00, 93.80, 90.00 |
Refinement procedure
Resolution | 37.970 - 1.160 |
R-factor | 0.12048 |
Rwork | 0.119 |
R-free | 0.14867 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a80 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.576 |
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] | 18.980 | 1.220 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.040 | 0.140 |
Number of reflections | 46196 | |
<I/σ(I)> | 17 | 7.3 |
Completeness [%] | 98.1 | 88.1 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |