2AS8
Crystal structure of mature and fully active Der p 1 allergen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.006768 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 75.120, 78.430, 83.774 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.600 - 1.950 |
R-factor | 0.18819 |
Rwork | 0.185 |
R-free | 0.25171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 7PCK |
RMSD bond length | 0.019 |
RMSD bond angle | 1.999 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.117 | 0.574 |
Number of reflections | 42045 | |
<I/σ(I)> | 3 | |
Completeness [%] | 98.3 | 95.2 |
Redundancy | 34 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Low salt | 4.5 | 277 | 25mM sodium acetate, pH 4.5, Low salt, temperature 277K |